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125 results on '"CNR Istituto Officina dei Materiali (IOM)"'

1. Clusters of Defects as a Possible Origin of Random Telegraph Signal in Imager Devices: a DFT based Study

Author: L. Martin Samos, Nicolas Richard, P.L. Julliard, Denis Rideau, Anne Hémeryck, A. LeRoch, Vincent Goiffon, Filadelfo Cristiano, Antoine Jay, S. de Gironcoli, Commissariat à l'Energie Atomique et aux énergies alternatives - CEA (FRANCE), Centre National de la Recherche Scientifique - CNRS (FRANCE), Institut National Polytechnique de Toulouse - Toulouse INP (FRANCE), Institut National des Sciences Appliquées de Toulouse - INSA (FRANCE), Institut Supérieur de l'Aéronautique et de l'Espace - ISAE-SUPAERO (FRANCE), STMicroelectronics (FRANCE), Université Toulouse III - Paul Sabatier - UT3 (FRANCE), Université Toulouse - Jean Jaurès - UT2J (FRANCE), Université Toulouse 1 Capitole - UT1 (FRANCE), CNR Istituto Officina dei Materiali - IOM (Rome, Italy), Équipe Modélisation Multi-niveaux des Matériaux (LAAS-M3), Laboratoire d'analyse et d'architecture des systèmes (LAAS), Université Toulouse - Jean Jaurès (UT2J)-Université Toulouse 1 Capitole (UT1), Université Fédérale Toulouse Midi-Pyrénées-Université Fédérale Toulouse Midi-Pyrénées-Centre National de la Recherche Scientifique (CNRS)-Université Toulouse III - Paul Sabatier (UT3), Université Fédérale Toulouse Midi-Pyrénées-Institut National des Sciences Appliquées - Toulouse (INSA Toulouse), Institut National des Sciences Appliquées (INSA)-Institut National des Sciences Appliquées (INSA)-Institut National Polytechnique (Toulouse) (Toulouse INP), Université Fédérale Toulouse Midi-Pyrénées-Université Toulouse - Jean Jaurès (UT2J)-Université Toulouse 1 Capitole (UT1), Université Fédérale Toulouse Midi-Pyrénées, Équipe Matériaux et Procédés pour la Nanoélectronique (LAAS-MPN), STMicroelectronics [Crolles] (ST-CROLLES), Institut Supérieur de l'Aéronautique et de l'Espace (ISAE-SUPAERO), CEA DAM ILE-DE-FRANCE - Bruyères-le-Châtel [Arpajon] (CEA DAM IDF), CNR Istituto Officina dei Materiali (IOM), Consiglio Nazionale delle Ricerche [Roma] (CNR), Scuola Internazionale Superiore di Studi Avanzati / International School for Advanced Studies (SISSA / ISAS), European Project: 871813,H2020-EU.2.1.1. - INDUSTRIAL LEADERSHIP - Leadership in enabling and industrial technologies - Information and Communication Technologies (ICT) ,MUNDFAB (2020), Centre d'Études de Limeil-Valenton (CEA-DAM), Direction des Applications Militaires (DAM), Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA), Université Toulouse Capitole (UT Capitole), Université de Toulouse (UT)-Université de Toulouse (UT)-Institut National des Sciences Appliquées - Toulouse (INSA Toulouse), Institut National des Sciences Appliquées (INSA)-Université de Toulouse (UT)-Institut National des Sciences Appliquées (INSA)-Université Toulouse - Jean Jaurès (UT2J), Université de Toulouse (UT)-Université Toulouse III - Paul Sabatier (UT3), Université de Toulouse (UT)-Centre National de la Recherche Scientifique (CNRS)-Institut National Polytechnique (Toulouse) (Toulouse INP), Université de Toulouse (UT)-Université Toulouse Capitole (UT Capitole), Université de Toulouse (UT), and National Research Council of Italy | Consiglio Nazionale delle Ricerche (CNR)
Subjects: Band gap, Radiation effects, 02 engineering and technology, 01 natural sciences, Signal, Settore FIS/03 - Fisica della Materia, Atomic measurements, Metastability, 0103 physical sciences, cross sections, Cluster (physics), Traitement du signal et de l'image, Electronics, defects, 010302 applied physics, Physics, [PHYS]Physics [physics], Modulation, Semiconductor device measurement, business.industry, defects electronic states, Time measurement, 021001 nanoscience & nanotechnology, Discrete Fourier transforms, Computational physics, Semiconductor, Dark current, random telegraph signal, (SISPAD)(SISPAD)Dark current, 0210 nano-technology, business, electronic states, Switches
Abstract: International audience; The origin of the random telegraph signal (RTS) observed in semiconductors-based electronic devices is still subject to debates. In this work, by means of atomistic simulations, typical clusters of defects as could be obtained after irradiation or implantation are studied as a possible cause for RTS. It is shown that: (i) a cluster of defects is highly metastable, (ii) it introduces several electronic states in the band gap, (iii) it has an electronic cross section much higher than the one of point defects. These three points can simultaneously explain why an electronhole generation rate can switch with time, while respecting the experimental measurement.
Published: 2021
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2. Dynamics of the MnAs α/β-Striped Microstructure and of the Fe Magnetization Reversal in Fe/MnAs/GaAs(001): An Optical-Laser Pump–Free-Electron-Laser Probe Scattering Experiment

Author: Alessandra Ciavardini, Eugenio Ferrari, Lorenzo Raimondi, Cristian Svetina, Lounès Lounis, Enrico Allaria, Mahmoud Eddrief, Carlo Spezzani, Miltcho B. Danailov, Maya Kiskinova, Flavio Capotondi, Emanuele Pedersoli, Renaud Delaunay, R. Ivanov, Ivaylo Nikolov, Maurizio Sacchi, Horia Popescu, Alexander Demidovich, Giovanni De Ninno, Marco Zangrando, Franck Vidal, Y. Zheng, Croissance et propriétés de systèmes hybrides en couches minces (INSP-E8), Institut des Nanosciences de Paris (INSP), Université Pierre et Marie Curie - Paris 6 (UPMC)-Centre National de la Recherche Scientifique (CNRS)-Université Pierre et Marie Curie - Paris 6 (UPMC)-Centre National de la Recherche Scientifique (CNRS), Université Paris sciences et lettres (PSL), Laboratoire de Physique des Solides (LPS), Centre National de la Recherche Scientifique (CNRS)-Université Paris-Sud - Paris 11 (UP11), Elettra Sincrotrone Trieste, Laboratoire de Chimie Physique - Matière et Rayonnement (LCPMR), Centre National de la Recherche Scientifique (CNRS)-Institut de Chimie du CNRS (INC)-Université Pierre et Marie Curie - Paris 6 (UPMC), Synchrotron SOLEIL (SSOLEIL), Centre National de la Recherche Scientifique (CNRS), Synchrotron ELETTRA, CNR Istituto Officina dei Materiali (IOM), Consiglio Nazionale delle Ricerche [Roma] (CNR), Croissance et propriétés de systèmes hybrides en couches minces ( INSP-E8 ), Institut des Nanosciences de Paris ( INSP ), Université Pierre et Marie Curie - Paris 6 ( UPMC ) -Centre National de la Recherche Scientifique ( CNRS ) -Université Pierre et Marie Curie - Paris 6 ( UPMC ) -Centre National de la Recherche Scientifique ( CNRS ), PSL Research University ( PSL ), Laboratoire de Physique des Solides ( LPS ), Université Paris-Sud - Paris 11 ( UP11 ) -Centre National de la Recherche Scientifique ( CNRS ), ELETTRA Sincrotrone Trieste, Laboratoire de Chimie Physique - Matière et Rayonnement ( LCPMR ), Université Pierre et Marie Curie - Paris 6 ( UPMC ) -Centre National de la Recherche Scientifique ( CNRS ), Synchrotron SOLEIL ( SSOLEIL ), Centre National de la Recherche Scientifique ( CNRS ), CNR - Istituto Officina dei Materiali ( IOM ), Consiglio Nazionale delle Ricerche [Roma] ( CNR ), Elettra, Sincrotrone Trieste, 34012 Basovizza, Trieste, Italy ( ELETTRA ), Elettra-synchrotron, Elettra Sincrotrone Trieste SCpa, I-34149 Trieste, Italy, Université Pierre et Marie Curie - Paris 6 (UPMC)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS), Université Paris-Sud - Paris 11 (UP11)-Centre National de la Recherche Scientifique (CNRS), and National Research Council of Italy | Consiglio Nazionale delle Ricerche (CNR)
Subjects: Diffraction, Pump-probe experiments, Materials science, 02 engineering and technology, Laser pumping, 01 natural sciences, Overlayer, law.invention, Magnetization, Condensed Matter::Materials Science, law, 0103 physical sciences, Radiology, Nuclear Medicine and imaging, 010306 general physics, Instrumentation, ComputingMilieux_MISCELLANEOUS, [PHYS]Physics [physics], Magnetization dynamics, [ PHYS ] Physics [physics], Condensed matter physics, Scattering, free electron laser, pump-probe experiments, magnetization dynamics, microstructure dynamics, Microstructure dynamics, 021001 nanoscience & nanotechnology, Laser, Atomic and Molecular Physics, and Optics, [PHYS.COND.CM-MS]Physics [physics]/Condensed Matter [cond-mat]/Materials Science [cond-mat.mtrl-sci], 0210 nano-technology, Free electron laser, Ultrashort pulse
Abstract: It was shown recently that the Fe magnetization reversal in the Fe/MnAs/GaAs(001) epitaxial system, attained by temperature control of the regular stripe pattern of the MnAs ?- and ?-phases, can also be driven by an ultrashort optical laser pulse. In the present time-resolved scattering experiment, we address the dynamics of the MnAs ?/? self-organized stripe pattern induced by a 100 fs optical laser pulse, using as a probe the XUV radiation from the FERMI free-electron laser. We observe a loss in the diffraction intensity from the ordered ?/? stripes that occurs at two characteristic timescales in the range of ~10-12 and ~10-10 s. We associate the first intensity drop with ultrafast electron-lattice energy exchange processes within the laser-MnAs interaction volume and the second with thermal diffusion towards the MnAs/GaAs interface. With the support of model calculations, the observed dynamics are interpreted in terms of the formation of a laterally homogeneous MnAs overlayer, the thickness of which evolves in time, correlating the MnAs microstructure dynamics with the Fe magnetization response.
Published: 2017
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3. Widely tunable two-colour seeded free-electron laser source for resonant-pump resonant-probe magnetic scattering

Author: Ferrari, Eugenio, Spezzani, Carlo, Fortuna, Franck, Delaunay, Renaud, Vidal, Franck, Nikolov, Ivaylo, Cinquegrana, Paolo, Diviacco, Bruno, Gauthier, David, Penco, Giuseppe, Ribic, Primoz Rebernik, Roussel, Eleonore, Trovo, Marco, Moussy, Jean Baptiste, Pincelli, Tommaso, Lounis, Lounès, Manfredda, Michele, Pedersoli, Emanuele, Capotondi, Flavio, Svetina, Cristian, Mahne, Nicola, Zangrando, Marco, Raimondi, Lorenzo, Demidovich, Alexander, Giannessi, Luca, De Ninno, Giovanni, Danailov, Miltcho Boyanov, Allaria, Enrico, Sacchi, Maurizio, Elettra Sincrotrone Trieste, ELETTRA Sincrotrone Trieste, Dipartimento di Fisica ( DIPARTIMENTO DI FISICA ), Università degli studi di Trieste, Laboratoire de Physique des Solides ( LPS ), Université Paris-Sud - Paris 11 ( UP11 ) -Centre National de la Recherche Scientifique ( CNRS ), Centre de Sciences Nucléaires et de Sciences de la Matière ( CSNSM ), Université Paris-Sud - Paris 11 ( UP11 ) -Institut National de Physique Nucléaire et de Physique des Particules du CNRS ( IN2P3 ) -Centre National de la Recherche Scientifique ( CNRS ), Laboratoire de Chimie Physique - Matière et Rayonnement ( LCPMR ), Université Pierre et Marie Curie - Paris 6 ( UPMC ) -Centre National de la Recherche Scientifique ( CNRS ), Croissance et propriétés de systèmes hybrides en couches minces ( INSP-E8 ), Institut des Nanosciences de Paris ( INSP ), Université Pierre et Marie Curie - Paris 6 ( UPMC ) -Centre National de la Recherche Scientifique ( CNRS ) -Université Pierre et Marie Curie - Paris 6 ( UPMC ) -Centre National de la Recherche Scientifique ( CNRS ), Service de physique de l'état condensé ( SPEC - UMR3680 ), Commissariat à l'énergie atomique et aux énergies alternatives ( CEA ) -Université Paris-Saclay-Centre National de la Recherche Scientifique ( CNRS ), Dipartimento di Fisica (Milano), Università degli studi di Milano [Milano], École normale supérieure - Paris ( ENS Paris ), Graduate School of Nanotechnology, CNR - Istituto Officina dei Materiali ( IOM ), Consiglio Nazionale delle Ricerche [Roma] ( CNR ), Italian National agency for new technologies, Energy and sustainable economic development [Frascati] ( ENEA ), Laboratory of Quantum Optics, University of Nova Gorica, Synchrotron SOLEIL ( SSOLEIL ), Centre National de la Recherche Scientifique ( CNRS ), Laboratoire de Physique des Solides (LPS), Université Paris-Sud - Paris 11 (UP11)-Centre National de la Recherche Scientifique (CNRS), CSNSM PS2, Centre de Spectrométrie Nucléaire et de Spectrométrie de Masse (CSNSM), Université Paris-Sud - Paris 11 (UP11)-Institut National de Physique Nucléaire et de Physique des Particules du CNRS (IN2P3)-Centre National de la Recherche Scientifique (CNRS)-Université Paris-Sud - Paris 11 (UP11)-Institut National de Physique Nucléaire et de Physique des Particules du CNRS (IN2P3)-Centre National de la Recherche Scientifique (CNRS)-Centre de Sciences Nucléaires et de Sciences de la Matière (CSNSM), Université Paris-Sud - Paris 11 (UP11)-Institut National de Physique Nucléaire et de Physique des Particules du CNRS (IN2P3)-Centre National de la Recherche Scientifique (CNRS), Laboratoire de Chimie Physique - Matière et Rayonnement (LCPMR), Université Pierre et Marie Curie - Paris 6 (UPMC)-Centre National de la Recherche Scientifique (CNRS), Croissance et propriétés de systèmes hybrides en couches minces (INSP-E8), Institut des Nanosciences de Paris (INSP), Sorbonne Université (SU)-Centre National de la Recherche Scientifique (CNRS)-Sorbonne Université (SU)-Centre National de la Recherche Scientifique (CNRS), Laboratoire de Physique des Lasers, Atomes et Molécules - UMR 8523 (PhLAM), Université de Lille-Centre National de la Recherche Scientifique (CNRS), Laboratoire Nano-Magnétisme et Oxydes (LNO), Service de physique de l'état condensé (SPEC - UMR3680), Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université Paris-Saclay-Centre National de la Recherche Scientifique (CNRS)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université Paris-Saclay-Centre National de la Recherche Scientifique (CNRS)-Institut Rayonnement Matière de Saclay (IRAMIS), Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université Paris-Saclay, PSL Research University (PSL), CNR Istituto Officina dei Materiali (IOM), Consiglio Nazionale delle Ricerche [Roma] (CNR), Synchrotron SOLEIL (SSOLEIL), Centre National de la Recherche Scientifique (CNRS), Dipartimento di Fisica [Trieste], Centre National de la Recherche Scientifique (CNRS)-Université Paris-Sud - Paris 11 (UP11), Centre de Sciences Nucléaires et de Sciences de la Matière (CSNSM), Centre National de la Recherche Scientifique (CNRS)-Institut de Chimie du CNRS (INC)-Université Pierre et Marie Curie - Paris 6 (UPMC), Université Pierre et Marie Curie - Paris 6 (UPMC)-Centre National de la Recherche Scientifique (CNRS)-Université Pierre et Marie Curie - Paris 6 (UPMC)-Centre National de la Recherche Scientifique (CNRS), Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université Paris-Saclay-Centre National de la Recherche Scientifique (CNRS), Università degli Studi di Milano [Milano] (UNIMI), École normale supérieure - Paris (ENS Paris), Université Paris sciences et lettres (PSL), Italian National agency for new technologies, Energy and sustainable economic development [Frascati] (ENEA), Centre National de la Recherche Scientifique (CNRS)-Institut National de Physique Nucléaire et de Physique des Particules du CNRS (IN2P3)-Université Paris-Sud - Paris 11 (UP11), and Université Paris-Saclay-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Centre National de la Recherche Scientifique (CNRS)
Subjects: [PHYS.PHYS.PHYS-ACC-PH]Physics [physics]/Physics [physics]/Accelerator Physics [physics.acc-ph], Science, General Physics and Astronomy, Physics::Optics, 02 engineering and technology, Electron, 01 natural sciences, 7. Clean energy, Article, General Biochemistry, Genetics and Molecular Biology, law.invention, Optics, Optical physics, law, 0103 physical sciences, [PHYS.COND]Physics [physics]/Condensed Matter [cond-mat], 010306 general physics, Physics, [PHYS]Physics [physics], Range (particle radiation), Multidisciplinary, [ PHYS ] Physics [physics], business.industry, Scattering, Free-electron laser, General Chemistry, 021001 nanoscience & nanotechnology, Laser, Physical sciences, Applied physics, Wavelength, Extreme ultraviolet, [PHYS.COND.CM-MS]Physics [physics]/Condensed Matter [cond-mat]/Materials Science [cond-mat.mtrl-sci], Optoelectronics, Physics::Accelerator Physics, 0210 nano-technology, business
Abstract: The advent of free-electron laser (FEL) sources delivering two synchronized pulses of different wavelengths (or colours) has made available a whole range of novel pump–probe experiments. This communication describes a major step forward using a new configuration of the FERMI FEL-seeded source to deliver two pulses with different wavelengths, each tunable independently over a broad spectral range with adjustable time delay. The FEL scheme makes use of two seed laser beams of different wavelengths and of a split radiator section to generate two extreme ultraviolet pulses from distinct portions of the same electron bunch. The tunability range of this new two-colour source meets the requirements of double-resonant FEL pump/FEL probe time-resolved studies. We demonstrate its performance in a proof-of-principle magnetic scattering experiment in Fe–Ni compounds, by tuning the FEL wavelengths to the Fe and Ni 3p resonances., Two-colour X-ray free electron laser is a powerful tool for pump–probe measurements, but currently constrained by limited tunability. Here, Ferrari et al. develop a configuration that allows tuning both the pump and the probe to specific electronic excitations, providing element selectivity.
Published: 2016
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4. X-ray fluorescence induced by standing waves in the grazing-incidence and grazing-exit modes: study of the Mg--Co--Zr system

Author: Jingtao Zhu, Angelo Giglia, Philippe Jonnard, Françoise Bridou, Yanyan Yuan, Yuchun Tu, Jean-Michel André, Karine Le Guen, Zhanshan Wang, Laboratoire de Chimie Physique - Matière et Rayonnement (LCPMR), Université Pierre et Marie Curie - Paris 6 (UPMC)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS), Institute of Precision Optical Engineering [Shangai] (IPOE), Tongji University, Laboratoire Charles Fabry / Optique XUV, Laboratoire Charles Fabry (LCF), Université Paris-Sud - Paris 11 (UP11)-Centre National de la Recherche Scientifique (CNRS)-Institut d'Optique Graduate School (IOGS)-Université Paris-Sud - Paris 11 (UP11)-Centre National de la Recherche Scientifique (CNRS)-Institut d'Optique Graduate School (IOGS), CNR Istituto Officina dei Materiali (IOM), Consiglio Nazionale delle Ricerche [Roma] (CNR), Cai Yuanpei Project (EGIDE PHC No. 30248NF), 973 program (No. 2011CB922203), and National Natural Science Founda- tion of China (Nos. 11375131 and 11305104), ANR-10-INTB-0902,COBMUL,Nouveaux matériaux multicouches à base de cobalt pour applications optiques dans l'extrême ultra-violet(2010), European Project: 312284,EC:FP7:INFRA,FP7-INFRASTRUCTURES-2012-1,CALIPSO(2012), Université Paris-Sud - Paris 11 (UP11)-Institut d'Optique Graduate School (IOGS)-Centre National de la Recherche Scientifique (CNRS)-Université Paris-Sud - Paris 11 (UP11)-Institut d'Optique Graduate School (IOGS)-Centre National de la Recherche Scientifique (CNRS), National Research Council of Italy | Consiglio Nazionale delle Ricerche (CNR), Laboratoire de Chimie Physique - Matière et Rayonnement ( LCPMR ), Université Pierre et Marie Curie - Paris 6 ( UPMC ) -Centre National de la Recherche Scientifique ( CNRS ), Institute of Precision Optical Engineering. ( IPOE ), Laboratoire Charles Fabry / XUV, Laboratoire Charles Fabry ( LCF ), Institut d'Optique Graduate School ( IOGS ) -Centre National de la Recherche Scientifique ( CNRS ) -Université Paris-Sud - Paris 11 ( UP11 ) -Institut d'Optique Graduate School ( IOGS ) -Centre National de la Recherche Scientifique ( CNRS ) -Université Paris-Sud - Paris 11 ( UP11 ), CNR - Istituto Officina dei Materiali ( IOM ), Consiglio Nazionale delle Ricerche [Roma] ( CNR ), ANR-10-INTB-0902,COBMUL,Nouveaux matériaux multicouches à base de cobalt pour applications optiques dans l'extrême ultra-violet ( 2010 ), and European Project : 312284,EC:FP7:INFRA,FP7-INFRASTRUCTURES-2012-1,CALIPSO ( 2012 )
Subjects: Nuclear and High Energy Physics, Materials science, Analytical chemistry, X-ray fluorescence, FOS: Physical sciences, [object Object], 02 engineering and technology, 01 natural sciences, Standing wave, Stack (abstract data type), 0103 physical sciences, Angular resolution, Instrumentation, Incidence (geometry), 010302 applied physics, Condensed Matter - Materials Science, Radiation, multilayer, Materials Science (cond-mat.mtrl-sci), [ PHYS.COND.CM-GEN ] Physics [physics]/Condensed Matter [cond-mat]/Other [cond-mat.other], 021001 nanoscience & nanotechnology, Fluorescence, [PHYS.COND.CM-GEN]Physics [physics]/Condensed Matter [cond-mat]/Other [cond-mat.other], X-ray standing wave, interface, Free energies, 0210 nano-technology, Intensity (heat transfer)
Abstract: We present the characterization of Mg-Co-Zr tri-layer stacks by using x-ray fluorescence induced by x-ray standing waves, both in the grazing incidence (GI) and grazing exit (GE) modes. The introduction of a slit in the direction of the detector improves the angular resolution by a factor 2 and significantly the sensitivity of the technique for the chemical characterization of the buried interfaces. By observing the intensity variations of the Mg Kalpha and Co Lalpha characteristic emissions as a function of the incident (GI mode) or detection (GE mode) angle, we show that the interfaces of the Si/[Mg/Co/Zr] x30 multilayer are abrupt, whereas in the Si/[Mg/Zr/Co] x30 multilayer a strong intermixing occurs at the Co-on-Zr interfaces. The explanation of this opposite behaviour of the Co-on-Zr and Zr-on-Co interfacesis given by the calculation of the mixing enthalpies of the Co-Mg, Co-Zr and Mg-Zr systems, which shows that the Co-Zr system presents anegative value and the two others positive values. Together with the difference of the surface free energies of Zr and Co, this leads us to consider the Mg/Zr/Co system as aMg/Co x Zr y bi-layer stack, with x/y estimated around 3.5., Published in Journal of Synchrotron Radiation 22, 1419 (2015)http://scripts.iucr.org/cgi-bin/paper?S1600577515016239
Published: 2015
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5. Artificial Aging of Thin Films of the Indium-Free Transparent Conducting Oxide SrVO 3

Author: Martando Rath, Moussa Mezhoud, Oualyd El Khaloufi, Oleg Lebedev, Julien Cardin, Christophe Labbé, Fabrice Gourbilleau, Vincent Polewczyk, Giovanni Vinai, Piero Torelli, Arnaud Fouchet, Adrian David, Wilfrid Prellier, Ulrike Lüders, Laboratoire de cristallographie et sciences des matériaux (CRISMAT), Université de Caen Normandie (UNICAEN), Normandie Université (NU)-Normandie Université (NU)-École Nationale Supérieure d'Ingénieurs de Caen (ENSICAEN), Normandie Université (NU)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Institut de Recherche sur les Matériaux Avancés (IRMA), Normandie Université (NU)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université de Rouen Normandie (UNIROUEN), Normandie Université (NU)-Institut national des sciences appliquées Rouen Normandie (INSA Rouen Normandie), Institut National des Sciences Appliquées (INSA)-Normandie Université (NU)-Institut National des Sciences Appliquées (INSA)-Centre National de la Recherche Scientifique (CNRS)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université de Rouen Normandie (UNIROUEN), Institut National des Sciences Appliquées (INSA)-Normandie Université (NU)-Institut National des Sciences Appliquées (INSA)-Centre National de la Recherche Scientifique (CNRS), Centre de recherche sur les Ions, les MAtériaux et la Photonique (CIMAP - UMR 6252), Normandie Université (NU)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Centre National de la Recherche Scientifique (CNRS)-Institut de Recherche sur les Matériaux Avancés (IRMA), Nanomatériaux, Ions et Métamatériaux pour la Photonique (NIMPH), Institut National des Sciences Appliquées (INSA)-Normandie Université (NU)-Institut National des Sciences Appliquées (INSA)-Centre National de la Recherche Scientifique (CNRS)-Université de Caen Normandie (UNICAEN), CNR Istituto Officina dei Materiali (IOM), National Research Council of Italy | Consiglio Nazionale delle Ricerche (CNR), Institut Jean Lamour (IJL), Institut de Chimie du CNRS (INC)-Université de Lorraine (UL)-Centre National de la Recherche Scientifique (CNRS), and Laboratorio TASC (IOM CNR)
Subjects: [PHYS]Physics [physics], General Materials Science, [CHIM.MATE]Chemical Sciences/Material chemistry, [PHYS.COND]Physics [physics]/Condensed Matter [cond-mat], [SPI.NANO]Engineering Sciences [physics]/Micro and nanotechnologies/Microelectronics
Published: 2023
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6. Formation and Etching of the Insulating Sr‐Rich V 5+ Phase at the Metallic SrVO 3 Surface Revealed by Operando XAS Spectroscopy Characterizations

Author: Vincent Polewczyk, Moussa Mezhoud, Martando Rath, Oualyd El‐Khaloufi, Ferdinando Bassato, Arnaud Fouchet, Wilfrid Prellier, Mathieu Frégnaux, Damien Aureau, Luca Braglia, Giovanni Vinai, Piero Torelli, Ulrike Lüders, CNR Istituto Officina dei Materiali (IOM), National Research Council of Italy | Consiglio Nazionale delle Ricerche (CNR), Laboratoire de cristallographie et sciences des matériaux (CRISMAT), Université de Caen Normandie (UNICAEN), Normandie Université (NU)-Normandie Université (NU)-École Nationale Supérieure d'Ingénieurs de Caen (ENSICAEN), Normandie Université (NU)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Institut de Recherche sur les Matériaux Avancés (IRMA), Normandie Université (NU)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université de Rouen Normandie (UNIROUEN), Normandie Université (NU)-Institut national des sciences appliquées Rouen Normandie (INSA Rouen Normandie), Institut National des Sciences Appliquées (INSA)-Normandie Université (NU)-Institut National des Sciences Appliquées (INSA)-Centre National de la Recherche Scientifique (CNRS)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université de Rouen Normandie (UNIROUEN), Institut National des Sciences Appliquées (INSA)-Normandie Université (NU)-Institut National des Sciences Appliquées (INSA)-Centre National de la Recherche Scientifique (CNRS), Università degli studi di Trieste = University of Trieste, Institut Lavoisier de Versailles (ILV), and Université de Versailles Saint-Quentin-en-Yvelines (UVSQ)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)
Subjects: Biomaterials, Electrochemistry, [CHIM]Chemical Sciences, Condensed Matter Physics, Electronic, Optical and Magnetic Materials
Abstract: International audience
Published: 2023
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7. Study of Cr/Sc-based multilayer reflecting mirrors using soft x-ray reflectivity and standing wave-enhanced x-ray fluorescence

Author: Françoise Bridou, Meiyi Wu, Catherine Burcklen, Philippe Jonnard, Franck Delmotte, Stefano Nannarone, Jean-Michel André, Karine Le Guen, Sébastien de Rossi, Angelo Giglia, Konstantin Koshmak, Evgueni Meltchakov, Laboratoire de Chimie Physique - Matière et Rayonnement (LCPMR), Université Pierre et Marie Curie - Paris 6 (UPMC)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS), Laboratoire Charles Fabry / Optique XUV, Laboratoire Charles Fabry (LCF), Université Paris-Sud - Paris 11 (UP11)-Centre National de la Recherche Scientifique (CNRS)-Institut d'Optique Graduate School (IOGS)-Université Paris-Sud - Paris 11 (UP11)-Centre National de la Recherche Scientifique (CNRS)-Institut d'Optique Graduate School (IOGS), CNR Istituto Officina dei Materiali (IOM), Consiglio Nazionale delle Ricerche [Roma] (CNR), Laboratoire de Chimie Physique - Matière et Rayonnement ( LCPMR ), Université Pierre et Marie Curie - Paris 6 ( UPMC ) -Centre National de la Recherche Scientifique ( CNRS ), Laboratoire Charles Fabry / XUV, Laboratoire Charles Fabry ( LCF ), Institut d'Optique Graduate School ( IOGS ) -Centre National de la Recherche Scientifique ( CNRS ) -Université Paris-Sud - Paris 11 ( UP11 ) -Institut d'Optique Graduate School ( IOGS ) -Centre National de la Recherche Scientifique ( CNRS ) -Université Paris-Sud - Paris 11 ( UP11 ), CNR - Istituto Officina dei Materiali ( IOM ), Consiglio Nazionale delle Ricerche [Roma] ( CNR ), Université Paris-Sud - Paris 11 (UP11)-Institut d'Optique Graduate School (IOGS)-Centre National de la Recherche Scientifique (CNRS)-Université Paris-Sud - Paris 11 (UP11)-Institut d'Optique Graduate School (IOGS)-Centre National de la Recherche Scientifique (CNRS), and National Research Council of Italy | Consiglio Nazionale delle Ricerche (CNR)
Subjects: Materials science, multilayers, [ PHYS.COND.CM-MS ] Physics [physics]/Condensed Matter [cond-mat]/Materials Science [cond-mat.mtrl-sci], X-ray fluorescence, 02 engineering and technology, 01 natural sciences, 010309 optics, Standing wave, Optics, Stack (abstract data type), x-ray standing waves, Cr/Sc, 0103 physical sciences, Deposition (law), [PHYS.PHYS.PHYS-OPTICS]Physics [physics]/Physics [physics]/Optics [physics.optics], Water window, [ PHYS.PHYS.PHYS-OPTICS ] Physics [physics]/Physics [physics]/Optics [physics.optics], x-ray fluorescence, business.industry, General Engineering, Bragg diffraction, Sputter deposition, soft x-ray reflectivity, 021001 nanoscience & nanotechnology, Atomic and Molecular Physics, and Optics, Characterization (materials science), [PHYS.COND.CM-MS]Physics [physics]/Condensed Matter [cond-mat]/Materials Science [cond-mat.mtrl-sci], 0210 nano-technology, business, Luminescence
Abstract: International audience; We study Cr/Sc-based multilayer mirrors designed to work in the water window range using hard and soft x-ray reflectivity as well as x-ray fluorescence enhanced by standing waves. Samples differ by the elemental composition of the stack, the thickness of each layer, and the order of deposition. This paper mainly consists of two parts. In the first part, the optical performances of different Cr/Sc-based multilayers are reported, and in the second part, we extend further the characterization of the structural parameters of the multilayers, which can be extracted by comparing the experimental data with simulations. The methodology is detailed in the case of Cr/B4C/Sc sample for which a three-layer model is used. Structural parameters determined by fitting reflectivity curve are then introduced as fixed parameters to plot the x-ray standing wave curve, to compare with the experiment, and confirm the determined structure of the stack.
Published: 2017
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8. Control of the Polarization of a Vacuum-Ultraviolet, High-Gain, Free-Electron Laser

Author: Joern Seltmann, Jens Buck, Miltcho B. Danailov, Cesare Grazioli, Jens Viefhaus, David Gauthier, W. M. Fawley, P. Rebernik, Eugenio Ferrari, Giuseppe Penco, P. Gessler, Luca Giannessi, Marco Zangrando, Simone Di Mitri, Guillaume Lambert, Paola Finetti, Oksana Plekan, Giovanni De Ninno, Antti Kivimäki, Alberto De Fanis, Enrico Allaria, Michael Meyer, Bruno Diviacco, Flavio Capotondi, Stefan Moeller, Philippe Zeitoun, Markus Ilchen, Jan Lüning, Frank Scholz, Alexander Demidovich, André Knie, Lorenzo Raimondi, Boris Vodungbo, Nicola Mahne, Jan Grünert, Mauro Trovò, Julien Gautier, Tommaso Mazza, Barbara Ressel, Benoît Mahieu, Emanuele Pedersoli, A. Abrami, Ivaylo Nikolov, Cristian Svetina, Carlo Callegari, Marcello Coreno, Leif Glaser, Carlo Spezzani, Sincrotrone Trieste, Centre de Recherche en Cancérologie de Marseille (CRCM), Centre National de la Recherche Scientifique (CNRS)-Institut National de la Santé et de la Recherche Médicale (INSERM)-Institut Paoli-Calmettes, Fédération nationale des Centres de lutte contre le Cancer (FNCLCC)-Fédération nationale des Centres de lutte contre le Cancer (FNCLCC)-Aix Marseille Université (AMU), Laboratorio TASC, Istituto Nazionale di Fisica Nucleare (INFN), School of Applied Sciences, University of Nova Gorica, Laboratoire de Sociologie et d'Anthropologie - UFC (EA 3189) (LASA), Université de Franche-Comté (UFC), Université Bourgogne Franche-Comté [COMUE] (UBFC)-Université Bourgogne Franche-Comté [COMUE] (UBFC), Laboratoire d'optique appliquée (LOA), École Nationale Supérieure de Techniques Avancées (ENSTA Paris)-École polytechnique (X)-Centre National de la Recherche Scientifique (CNRS), CNR Istituto Officina dei Materiali (IOM), Consiglio Nazionale delle Ricerche [Roma] (CNR), Synchrotron ELETTRA, Elettra Sincrotrone Trieste, Infectious Diseases, Ospedali Galliera, EDF (EDF), CNR-IMIP, CNR-IOM, Institute for Forest Genetics and Forest Tree Breeding, Federal Research Centre for Forestry and Forest Products, German Weather Service, European XFEL GmbH, Institute of Multidisciplinary Research for Advanced Materials, Tohoku University [Sendai], Institute of Physics and CINSaT, University of Kassel, Center for Magnetic Resonance Research [Minneapolis] (CMRR), University of Minnesota Medical School, University of Minnesota System-University of Minnesota System, NEST-INFM (INFM), Dipartimento di Scienze Fisiche, Informatiche e Matematiche [Modena], Università degli Studi di Modena e Reggio Emilia (UNIMORE), Institute of Psychological Medicine and Clinical Neurosciences, Cardiff University, MRC Centre for Neuropsychiatric Genetics and Genomics, Medical Research Council (MRC)-School of Medicine [Cardiff], Institute of Medical Genetics [Cardiff]-Cardiff University-Institute of Medical Genetics [Cardiff]-Cardiff University, Centre de Recherche des Cordeliers (CRC), Université Paris Diderot - Paris 7 (UPD7)-École pratique des hautes études (EPHE), Université Paris sciences et lettres (PSL)-Université Paris sciences et lettres (PSL)-Université Pierre et Marie Curie - Paris 6 (UPMC)-Université Paris Descartes - Paris 5 (UPD5)-Institut National de la Santé et de la Recherche Médicale (INSERM), Laboratoire de Chimie Physique - Matière et Rayonnement (LCPMR), Université Pierre et Marie Curie - Paris 6 (UPMC)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS), Italian National agency for new technologies, Energy and sustainable economic development [Frascati] (ENEA), Centre de Recherche en Cancérologie de Marseille ( CRCM ), Aix Marseille Université ( AMU ) -Institut Paoli-Calmettes, Fédération nationale des Centres de lutte contre le Cancer (FNCLCC)-Fédération nationale des Centres de lutte contre le Cancer (FNCLCC)-Institut National de la Santé et de la Recherche Médicale ( INSERM ) -Centre National de la Recherche Scientifique ( CNRS ), National Institute for Nuclear Physics ( INFN ), Laboratoire de Sociologie et d'Anthropologie - UFC (EA 3189) ( LASA ), Université Bourgogne Franche-Comté [COMUE] ( UBFC ) -Université de Franche-Comté ( UFC ), Laboratoire d'optique appliquée ( LOA ), École Nationale Supérieure de Techniques Avancées ( Univ. Paris-Saclay, ENSTA ParisTech ) -École polytechnique ( X ) -Centre National de la Recherche Scientifique ( CNRS ), CNR - Istituto Officina dei Materiali ( IOM ), Consiglio Nazionale delle Ricerche [Roma] ( CNR ), ELETTRA Sincrotrone Trieste, EDF ( EDF ), Center for Magnetic Resonance Research [Minneapolis] ( CMRR ), NEST-INFM ( INFM ), Dipartimento di Fisica, Universit`a di Modena e Reggio Emilia, Cardiff University School of Medicine, Cardiff University-Medical Research Council (MRC), Centre de Recherche des Cordeliers ( CRC ), Université Paris Diderot - Paris 7 ( UPD7 ) -École pratique des hautes études ( EPHE ) -Université Pierre et Marie Curie - Paris 6 ( UPMC ) -Université Paris Descartes - Paris 5 ( UPD5 ) -Institut National de la Santé et de la Recherche Médicale ( INSERM ), Laboratoire de Chimie Physique - Matière et Rayonnement ( LCPMR ), Centre National de la Recherche Scientifique ( CNRS ) -Université Pierre et Marie Curie - Paris 6 ( UPMC ), Italian National agency for new technologies, Energy and sustainable economic development [Frascati] ( ENEA ), Giannessi, L., Deutsches Elektronen-Synchrotron [Hamburg] (DESY), Laboratorio TASC (IOM CNR), Consiglio Nazionale delle Ricerche (CNR), Laboratory of Quantum Optics, Dipartimento di Fisica [Trieste], Università degli studi di Trieste = University of Trieste, European XFEL Gmbh, Stanford Pulse Institute, Institut de Chimie du CNRS (INC)-Sorbonne Université (SU)-Centre National de la Recherche Scientifique (CNRS), Graduate School of Nanotechnology, Instituto di Struttura della Materia (ISM), SLAC National Accelerator Laboratory (SLAC), Stanford University, National Institute for Nuclear Physics (INFN), Université Bourgogne Franche-Comté [COMUE] (UBFC)-Université de Franche-Comté (UFC), Centre National de la Recherche Scientifique (CNRS)-École polytechnique (X)-École Nationale Supérieure de Techniques Avancées (ENSTA Paris), Université Paris Diderot - Paris 7 (UPD7)-École pratique des hautes études (EPHE)-Université Pierre et Marie Curie - Paris 6 (UPMC)-Université Paris Descartes - Paris 5 (UPD5)-Institut National de la Santé et de la Recherche Médicale (INSERM), Université Pierre et Marie Curie - Paris 6 (UPMC)-Centre National de la Recherche Scientifique (CNRS), Allaria, Enrico, Diviacco, Bruno, Callegari, Carlo, Finetti, Paola, Mahieu, Benoît, Viefhaus, Jen, Zangrando, Marco, DE NINNO, Giovanni, Lambert, Guillaume, Ferrari, Eugenio, Buck, Jen, Ilchen, Marku, Vodungbo, Bori, Mahne, Nicola, Svetina, Cristian, Spezzani, Carlo, Di Mitri, Simone, Penco, Giuseppe, Trovò, Mauro, Fawley, William M., Rebernik, Primoz R., Gauthier, David, Grazioli, Cesare, Coreno, Marcello, Ressel, Barbara, Kivimäki, Antti, Mazza, Tommaso, Glaser, Leif, Scholz, Frank, Seltmann, Joern, Gessler, Patrick, Grünert, Jan, De Fanis, Alberto, Meyer, Michael, Knie, André, Moeller, Stefan P., Raimondi, Lorenzo, Capotondi, Flavio, Pedersoli, Emanuele, Plekan, Oksana, Danailov, Miltcho B., Demidovich, Alexander, Nikolov, Ivaylo, Abrami, Alessandro, Gautier, Julien, Lüning, Jan, Zeitoun, Philippe, Giannessi, Luca, Aix Marseille Université ( AMU ) -Institut Paoli-Calmettes-Institut National de la Santé et de la Recherche Médicale ( INSERM ) -Centre National de la Recherche Scientifique ( CNRS ), Laboratoire de Sociologie et d'Anthropologie - UFC ( LASA ), Université Bourgogne Franche-Comté ( UBFC ) -Université de Franche-Comté ( UFC ), Institut National de la Santé et de la Recherche Médicale ( INSERM ) -Université Paris Descartes - Paris 5 ( UPD5 ) -Université Pierre et Marie Curie - Paris 6 ( UPMC ) -École pratique des hautes études ( EPHE ) -Université Paris Diderot - Paris 7 ( UPD7 ), and Université Pierre et Marie Curie - Paris 6 ( UPMC ) -Centre National de la Recherche Scientifique ( CNRS )
Subjects: Particles and field, QC1-999, [PHYS.PHYS.PHYS-ACC-PH]Physics [physics]/Physics [physics]/Accelerator Physics [physics.acc-ph], General Physics and Astronomy, Radiation, law.invention, Physics and Astronomy (all), Optics, law, [PHYS.PHYS.PHYS-PLASM-PH]Physics [physics]/Physics [physics]/Plasma Physics [physics.plasm-ph], ddc:530, [ PHYS.PHYS.PHYS-ACC-PH ] Physics [physics]/Physics [physics]/Accelerator Physics [physics.acc-ph], Photonics, Particles and fields, Interdisciplinary physics, Physics, [PHYS]Physics [physics], Interdisciplinary physic, [PHYS.PHYS.PHYS-OPTICS]Physics [physics]/Physics [physics]/Optics [physics.optics], [ PHYS ] Physics [physics], [ PHYS.PHYS.PHYS-OPTICS ] Physics [physics]/Physics [physics]/Optics [physics.optics], business.industry, Free-electron laser, Photonic, Polarimeter, [ PHYS.PHYS.PHYS-PLASM-PH ] Physics [physics]/Physics [physics]/Plasma Physics [physics.plasm-ph], Polarization (waves), Laser, Wavelength, business, Fermi Gamma-ray Space Telescope
Abstract: International audience; The two single-pass, externally seeded free-electron lasers (FELs) of the FERMI user facility are designed around Apple-II-type undulators that can operate at arbitrary polarization in the vacuum ultraviolet-to-soft x-ray spectral range. Furthermore, within each FEL tuning range, any output wavelength and polarization can be set in less than a minute of routine operations. We report the first demonstration of the full output polarization capabilities of FERMI FEL-1 in a campaign of experiments where the wavelength and nominal polarization are set to a series of representative values, and the polarization of the emitted intense pulses is thoroughly characterized by three independent instruments and methods, expressly developed for the task. The measured radiation polarization is consistently >90% and is not significantly spoiled by the transport optics; differing, relative transport losses for horizontal and vertical polarization become more prominent at longer wavelengths and lead to a non-negligible ellipticity for an originally circularly polarized state. The results from the different polarimeter setups validate each other, allow a cross-calibration of the instruments, and constitute a benchmark for user experiments.
Published: 2014
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9. Ferromagnetism and Rashba Spin–Orbit Coupling in the Two-Dimensional (V,Pt)Se2 Alloy

Author: Emilio Vélez-Fort, Ali Hallal, Roberto Sant, Thomas Guillet, Khasan Abdukayumov, Alain Marty, Céline Vergnaud, Jean-François Jacquot, Denis Jalabert, Jun Fujii, Ivana Vobornik, Julien Rault, Nicholas B. Brookes, Danilo Longo, Philippe Ohresser, Abdelkarim Ouerghi, Jean-Yves Veuillen, Pierre Mallet, Hervé Boukari, Hanako Okuno, Mairbek Chshiev, Frédéric Bonell, Matthieu Jamet, SPINtronique et TEchnologie des Composants (SPINTEC), Centre National de la Recherche Scientifique (CNRS)-Institut de Recherche Interdisciplinaire de Grenoble (IRIG), Direction de Recherche Fondamentale (CEA) (DRF (CEA)), Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Direction de Recherche Fondamentale (CEA) (DRF (CEA)), Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université Grenoble Alpes (UGA), European Synchrotron Radiation Facility (ESRF), Conception d’Architectures Moléculaires et Processus Electroniques (CAMPE ), SYstèmes Moléculaires et nanoMatériaux pour l’Energie et la Santé (SYMMES), Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Institut de Recherche Interdisciplinaire de Grenoble (IRIG), Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université Grenoble Alpes (UGA)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Institut de Recherche Interdisciplinaire de Grenoble (IRIG), Département Interfaces pour l'énergie, la Santé et l'Environnement (DIESE), Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA), Modélisation et Exploration des Matériaux (MEM), Institut de Recherche Interdisciplinaire de Grenoble (IRIG), Laboratorio TASC (IOM CNR), National Research Council of Italy | Consiglio Nazionale delle Ricerche (CNR), CNR Istituto Officina dei Materiali (IOM), Synchrotron SOLEIL (SSOLEIL), Centre National de la Recherche Scientifique (CNRS), Centre de Nanosciences et de Nanotechnologies (C2N), Université Paris-Saclay-Centre National de la Recherche Scientifique (CNRS), Nano-Electronique Quantique et Spectroscopie (NEEL - QuNES), Institut Néel (NEEL), Centre National de la Recherche Scientifique (CNRS)-Université Grenoble Alpes (UGA)-Institut polytechnique de Grenoble - Grenoble Institute of Technology (Grenoble INP ), Université Grenoble Alpes (UGA)-Centre National de la Recherche Scientifique (CNRS)-Université Grenoble Alpes (UGA)-Institut polytechnique de Grenoble - Grenoble Institute of Technology (Grenoble INP ), Université Grenoble Alpes (UGA), Nanophysique et Semiconducteurs (NEEL - NPSC), Institut Universitaire de France (IUF), Ministère de l'Education nationale, de l’Enseignement supérieur et de la Recherche (M.E.N.E.S.R.), ANR-18-CE24-0007,MAGICVALLEY,Polarisation de vallée induite par couplage d'échange magnétique dans les matériaux 2D à grande échelle(2018), ANR-10-LABX-0051,LANEF,Laboratory of Alliances on Nanosciences - Energy for the Future(2010), and European Project: 785219,H2020,GrapheneCore2(2018)
Subjects: Condensed Matter::Materials Science, Materials Chemistry, Electrochemistry, Condensed Matter::Strongly Correlated Electrons, [PHYS.COND]Physics [physics]/Condensed Matter [cond-mat], Condensed Matter::Mesoscopic Systems and Quantum Hall Effect, Electronic, Optical and Magnetic Materials
Abstract: 5 pages, 5 figures; International audience; We report on a two-dimensional (2D) V1–xPtxSe2 alloy that exhibits ferromagnetic order and Rashba spin–orbit coupling. Although ferromagnetism is absent in 1T-VSe2 because of the competition with the charge density wave phase, we demonstrate theoretically and experimentally that the substitution of vanadium by platinum in VSe2 (10–50%) to form a homogeneous 2D alloy restores ferromagnetic order down to one monolayer of V0.65Pt0.35Se2. Moreover, the presence of platinum atoms gives rise to Rashba spin–orbit coupling in (V,Pt)Se2, providing an original platform to study the interplay between ferromagnetism and spin–orbit coupling in the 2D limit.
Published: 2022
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10. Reply to 'Comment on 'Insight into Organometallic Intermediate and Its Evolution to Covalent Bonding in Surface-Confined Ullmann Polymerization''

Author: Giorgio Contini, Mohamed El Garah, Vincent Meunier, Yannick Fagot-Révurat, Luis Cardenas, Josh Lipton-Duffin, Marco Di Giovannantonio, Federico Rosei, Alberto Verdini, Dmitrii F. Perepichka, Albano Cossaro, Istituto di Struttura della Materia ( CNR-ISM ), Consiglio Nazionale delle Ricerche [Roma] ( CNR ), Énergie Matériaux Télécommunications - INRS ( EMT-INRS ), Institut National de la Recherche Scientifique [Québec] ( INRS ) -Université du Québec à Montréal ( UQAM ), Department of Physics, Applied Physics, and Astronomy [Troy], Rensselaer Polytechnic Institute ( RPI ), Institut Jean Lamour ( IJL ), Université de Lorraine ( UL ) -Centre National de la Recherche Scientifique ( CNRS ), CNR - Istituto Officina dei Materiali ( IOM ), Center for Self-Assembled Chemical Structures ( CSACS ), Center for Self-Assembled Chemical Structures, Department of Physics [Roma], Università degli Studi di Roma Tor Vergata [Roma], Istituto di Struttura della Materia (CNR-ISM), Consiglio Nazionale delle Ricerche [Roma] (CNR), Énergie Matériaux Télécommunications - INRS (EMT-INRS), Institut National de la Recherche Scientifique [Québec] (INRS)-Université du Québec à Montréal = University of Québec in Montréal (UQAM), Rensselaer Polytechnic Institute (RPI), Institut Jean Lamour (IJL), Institut de Chimie du CNRS (INC)-Université de Lorraine (UL)-Centre National de la Recherche Scientifique (CNRS), CNR Istituto Officina dei Materiali (IOM), Center for Self-Assembled Chemical Structures (CSACS), and Department of Physics [Roma Tor Vergata]
Subjects: Surface (mathematics), Materials science, X-ray photoelectron spectroscopy, Polymerization, Covalent bond, Section (archaeology), General Engineering, [PHYS.COND.CM-MS]Physics [physics]/Condensed Matter [cond-mat]/Materials Science [cond-mat.mtrl-sci], [ PHYS.COND.CM-MS ] Physics [physics]/Condensed Matter [cond-mat]/Materials Science [cond-mat.mtrl-sci], General Physics and Astronomy, Physical chemistry, General Materials Science
Abstract: Song comments on our recent paper,1 stating “it is apparent that the conclusion drawn from the XPS measurements and analysis is questionable, and the discussion of the XPS section was not well addressed”.2...
Published: 2014
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11. Co/Mo2C multilayer as x-ray mirror: optical and thermal performances

Author: Yuan, Yanyan, Le Guen, Karine, André, Jean-Michel, Wang, Zhanshan, Li, Haochuan, Zhu, Jingtao, Mény, Christian, Giglia, Angelo, Nannarone, Stefano, Jonnard, Philippe, Laboratoire de Chimie Physique - Matière et Rayonnement ( LCPMR ), Université Pierre et Marie Curie - Paris 6 ( UPMC ) -Centre National de la Recherche Scientifique ( CNRS ), Institute of Precision Optical Engineering. ( IPOE ), Tongji University, Institut de Physique et Chimie des Matériaux de Strasbourg ( IPCMS ), Université de Strasbourg ( UNISTRA ) -Centre National de la Recherche Scientifique ( CNRS ) -Matériaux et nanosciences d'Alsace, Université de Strasbourg ( UNISTRA ) -Université de Haute-Alsace (UHA) Mulhouse - Colmar ( Université de Haute-Alsace (UHA) ) -Institut National de la Santé et de la Recherche Médicale ( INSERM ) -Centre National de la Recherche Scientifique ( CNRS ) -Université de Strasbourg ( UNISTRA ) -Université de Haute-Alsace (UHA) Mulhouse - Colmar ( Université de Haute-Alsace (UHA) ) -Institut National de la Santé et de la Recherche Médicale ( INSERM ) -Centre National de la Recherche Scientifique ( CNRS ) -Réseau nanophotonique et optique, Université de Strasbourg ( UNISTRA ) -Université de Haute-Alsace (UHA) Mulhouse - Colmar ( Université de Haute-Alsace (UHA) ) -Centre National de la Recherche Scientifique ( CNRS ) -Université de Strasbourg ( UNISTRA ), CNR - Istituto Officina dei Materiali ( IOM ), Consiglio Nazionale delle Ricerche [Roma] ( CNR ), ANR-10-INTB-0902,COBMUL,Nouveaux matériaux multicouches à base de cobalt pour applications optiques dans l'extrême ultra-violet ( 2010 ), Laboratoire de Chimie Physique - Matière et Rayonnement (LCPMR), Université Pierre et Marie Curie - Paris 6 (UPMC)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS), Institute of Precision Optical Engineering [Shangai] (IPOE), Institut de Physique et Chimie des Matériaux de Strasbourg (IPCMS), Université de Strasbourg (UNISTRA)-Centre National de la Recherche Scientifique (CNRS)-Matériaux et Nanosciences Grand-Est (MNGE), Université de Strasbourg (UNISTRA)-Université de Haute-Alsace (UHA) Mulhouse - Colmar (Université de Haute-Alsace (UHA))-Institut National de la Santé et de la Recherche Médicale (INSERM)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Université de Strasbourg (UNISTRA)-Université de Haute-Alsace (UHA) Mulhouse - Colmar (Université de Haute-Alsace (UHA))-Institut National de la Santé et de la Recherche Médicale (INSERM)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Réseau nanophotonique et optique, Université de Strasbourg (UNISTRA)-Université de Haute-Alsace (UHA) Mulhouse - Colmar (Université de Haute-Alsace (UHA))-Centre National de la Recherche Scientifique (CNRS)-Université de Strasbourg (UNISTRA)-Centre National de la Recherche Scientifique (CNRS), CNR Istituto Officina dei Materiali (IOM), National Research Council of Italy | Consiglio Nazionale delle Ricerche (CNR), ANR-10-INTB-0902,COBMUL,Nouveaux matériaux multicouches à base de cobalt pour applications optiques dans l'extrême ultra-violet(2010), Université de Strasbourg (UNISTRA)-Matériaux et nanosciences d'Alsace (FMNGE), Institut de Chimie du CNRS (INC)-Université de Strasbourg (UNISTRA)-Université de Haute-Alsace (UHA) Mulhouse - Colmar (Université de Haute-Alsace (UHA))-Institut National de la Santé et de la Recherche Médicale (INSERM)-Centre National de la Recherche Scientifique (CNRS)-Institut de Chimie du CNRS (INC)-Université de Strasbourg (UNISTRA)-Université de Haute-Alsace (UHA) Mulhouse - Colmar (Université de Haute-Alsace (UHA))-Institut National de la Santé et de la Recherche Médicale (INSERM)-Centre National de la Recherche Scientifique (CNRS)-Centre National de la Recherche Scientifique (CNRS)-Réseau nanophotonique et optique, Centre National de la Recherche Scientifique (CNRS)-Université de Strasbourg (UNISTRA)-Université de Haute-Alsace (UHA) Mulhouse - Colmar (Université de Haute-Alsace (UHA))-Centre National de la Recherche Scientifique (CNRS)-Université de Strasbourg (UNISTRA), and Consiglio Nazionale delle Ricerche [Roma] (CNR)
Subjects: Co, optical properties, [PHYS.PHYS.PHYS-OPTICS]Physics [physics]/Physics [physics]/Optics [physics.optics], Co/Mo 2 C multilayer, [ PHYS.PHYS.PHYS-OPTICS ] Physics [physics]/Physics [physics]/Optics [physics.optics], x-ray mirror, [PHYS.COND.CM-GEN]Physics [physics]/Condensed Matter [cond-mat]/Other [cond-mat.other], multilayers, standing wave, Mo2C, [ PHYS.COND.CM-GEN ] Physics [physics]/Condensed Matter [cond-mat]/Other [cond-mat.other], X-ray mirrors, standing waves
Abstract: We combined soft X-ray reflectivity (SXR) and X-ray standing-wave-enhanced fluorescence to study the optical performance and the thermally-induced interface behavior of Co/Mo2C nanometric multilayers, designed to work in the soft X-ray range close to the Co L3 absorption edge. Grazing X-ray reflectivity measurements were performed at 0.154nm (Cu K line) and at two wavelengths in the soft X-ray range, 1.59 and 1.33nm, close to and far from the Co L3 edge. In the fluorescence experiment the intensity of the Co L emission was measured by the standing-wave method within a Co/Mo2C stack. We found that the Co/Mo2C multilayers present good optical performance in the soft X-ray range up to 600 degrees C annealing temperature. Indeed, the reflectivity value in the soft X-ray range at a grazing angle of 11 degrees is 25% for the as-deposited sample, then slightly varies with annealing and is still 20% after annealing at 600 degrees C. This demonstrates the good thermal stability of the Co/Mo2C multilayer. We used a simplified two-layer model and modified optical indices of the Co nanofilms to fit the experimental X-ray reflectivity curves. The same modified values of the optical indices are used to fit the X-ray standing-wave curves, confirming the usefulness of the model of the stack.
Published: 2014
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12. Insight into Organometallic Intermediate and Its Evolution to Covalent Bonding in Surface-Confined Ullmann Polymerization

Author: Mohamed El Garah, Albano Cossaro, Alberto Verdini, Dmitrii F. Perepichka, Luis Cardenas, Yannick Fagot Revurat, Josh Lipton-Duffin, Marco Di Giovannantonio, Vincent Meunier, Giorgio Contini, Federico Rosei, Istituto di Struttura della Materia ( CNR-ISM ), Consiglio Nazionale delle Ricerche [Roma] ( CNR ), Énergie Matériaux Télécommunications - INRS ( EMT-INRS ), Institut National de la Recherche Scientifique [Québec] ( INRS ) -Université du Québec à Montréal ( UQAM ), Department of Physics, Applied Physics, and Astronomy [Troy], Rensselaer Polytechnic Institute ( RPI ), Center for Self-Assembled Chemical Structures ( CSACS ), Center for Self-Assembled Chemical Structures, Institut Jean Lamour ( IJL ), Université de Lorraine ( UL ) -Centre National de la Recherche Scientifique ( CNRS ), CNR - Istituto Officina dei Materiali ( IOM ), Department of Physics [Roma], Università degli Studi di Roma Tor Vergata [Roma], Istituto di Struttura della Materia (CNR-ISM), Consiglio Nazionale delle Ricerche [Roma] (CNR), Énergie Matériaux Télécommunications - INRS (EMT-INRS), Institut National de la Recherche Scientifique [Québec] (INRS)-Université du Québec à Montréal = University of Québec in Montréal (UQAM), Rensselaer Polytechnic Institute (RPI), Center for Self-Assembled Chemical Structures (CSACS), Institut Jean Lamour (IJL), Institut de Chimie du CNRS (INC)-Université de Lorraine (UL)-Centre National de la Recherche Scientifique (CNRS), CNR Istituto Officina dei Materiali (IOM), and Department of Physics [Roma Tor Vergata]
Subjects: Materials science, [ PHYS.COND.CM-MS ] Physics [physics]/Condensed Matter [cond-mat]/Materials Science [cond-mat.mtrl-sci], General Physics and Astronomy, 02 engineering and technology, 010402 general chemistry, Photochemistry, 01 natural sciences, law.invention, Ullmann coupling, X-ray photoelectron spectroscopy, law, Phenylene, conjugated polymers, General Materials Science, poly(para-phenylene) (PPP), Spectroscopy, fast X-ray photoelectron spectroscopy (fast-XPS), Low-energy electron diffraction, scanning tunneling microscopy (STM), General Engineering, 021001 nanoscience & nanotechnology, XANES, 0104 chemical sciences, Polymerization, Covalent bond, near-edge X-ray absorption fine structure spectroscopy (NEXAFS), [PHYS.COND.CM-MS]Physics [physics]/Condensed Matter [cond-mat]/Materials Science [cond-mat.mtrl-sci], Scanning tunneling microscope, 0210 nano-technology, surface polymerization
Abstract: Équipe 102 : Surfaces et Spectroscopies; International audience; We provide insight into surface-catalyzed dehalogenative polymerization, analyzing the organometallic intermediate and its evolution into planar polymeric structures. A combined study using scanning tunneling microscopy (STM), X-ray photoelectron spectroscopy (XPS), low energy electron diffraction (LEED), near-edge X-ray absorption fine structure (NEXAFS) spectroscopy and first-principles calculations unveils the structural conformation of substrate-bound phenylene intermediates generated from 1,4-dibromobenzene precursors on Cu(110), showing the stabilizing role of the halogen. The appearance of covalently bonded conjugated structures is followed in real time by fast-XPS measurements (with an acquisition time of 2 s per spectrum and heating rate of 2 K/s), showing that the detaching of phenylene units from the copper substrate and subsequent polymerization occur upon annealing above 460 +/- 10 K.
Published: 2013
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13. Microfocusing of the FERMI@Elettra FEL beam with a K–B active optics system: Spot size predictions by application of the WISE code

Author: Maya Kiskinova, Guillaume Dovillaire, Guillaume Lambert, M. de Marco, David Gauthier, Flavio Capotondi, G. De Ninno, Daniele Cocco, Marco Zangrando, C. Fava, Emanuele Pedersoli, Philippe Zeitoun, Willem Boutu, A. I. Gonzalez, Cristian Svetina, R. Gobessi, S. Gerusina, A. Abrami, Nicola Mahne, Hamed Merdji, Lorenzo Raimondi, Synchrotron ELETTRA, CNR Istituto Officina dei Materiali (IOM), Consiglio Nazionale delle Ricerche [Roma] (CNR), Sincrotrone Trieste, NEST-INFM (INFM), Istituto Nazionale di Fisica Nucleare (INFN), Dipartimento di Scienze Fisiche, Informatiche e Matematiche [Modena], Università degli Studi di Modena e Reggio Emilia (UNIMORE), School of Applied Sciences, University of Nova Gorica, Laboratoire d'optique appliquée (LOA), École Nationale Supérieure de Techniques Avancées (ENSTA Paris)-École polytechnique (X)-Centre National de la Recherche Scientifique (CNRS), Imagine Optic, AFOP, Laboratoire de Sociologie et d'Anthropologie - UFC (EA 3189) (LASA), Université de Franche-Comté (UFC), Université Bourgogne Franche-Comté [COMUE] (UBFC)-Université Bourgogne Franche-Comté [COMUE] (UBFC), Service des Photons, Atomes et Molécules (SPAM), Commissariat à l'énergie atomique et aux énergies alternatives (CEA), Laboratorio de ecologia Quimica, Universidad de la República [Montevideo] (UCUR), EDF (EDF), Laboratorio TASC, National Research Council of Italy | Consiglio Nazionale delle Ricerche (CNR), Università degli Studi di Modena e Reggio Emilia = University of Modena and Reggio Emilia (UNIMORE), Laboratoire de Sociologie et d'Anthropologie - UFC (UR 3189) (LASA), Universidad de la República [Montevideo] (UDELAR), CNR - Istituto Officina dei Materiali ( IOM ), Consiglio Nazionale delle Ricerche [Roma] ( CNR ), NEST-INFM ( INFM ), National Institute for Nuclear Physics ( INFN ), Dipartimento di Fisica, Universit`a di Modena e Reggio Emilia, Laboratoire d'optique appliquée ( LOA ), École Nationale Supérieure de Techniques Avancées ( Univ. Paris-Saclay, ENSTA ParisTech ) -École polytechnique ( X ) -Centre National de la Recherche Scientifique ( CNRS ), Laboratoire de Sociologie et d'Anthropologie - UFC ( LASA ), Université Bourgogne Franche-Comté ( UBFC ) -Université de Franche-Comté ( UFC ), Service des Photons, Atomes et Molécules ( SPAM ), Commissariat à l'énergie atomique et aux énergies alternatives ( CEA ), Universidad de la República, and EDF ( EDF )
Subjects: Diffraction, Nuclear and High Energy Physics, Aperture, [PHYS.PHYS.PHYS-ACC-PH]Physics [physics]/Physics [physics]/Accelerator Physics [physics.acc-ph], 030303 biophysics, 01 natural sciences, 03 medical and health sciences, Optics, [PHYS.PHYS.PHYS-PLASM-PH]Physics [physics]/Physics [physics]/Plasma Physics [physics.plasm-ph], 0103 physical sciences, [ PHYS.PHYS.PHYS-ACC-PH ] Physics [physics]/Physics [physics]/Accelerator Physics [physics.acc-ph], 010306 general physics, Instrumentation, Physics, [PHYS]Physics [physics], 0303 health sciences, [PHYS.PHYS.PHYS-OPTICS]Physics [physics]/Physics [physics]/Optics [physics.optics], [ PHYS ] Physics [physics], [ PHYS.PHYS.PHYS-OPTICS ] Physics [physics]/Physics [physics]/Optics [physics.optics], Geometrical optics, business.industry, Free-electron laser, Active optics, [ PHYS.PHYS.PHYS-PLASM-PH ] Physics [physics]/Physics [physics]/Plasma Physics [physics.plasm-ph], Physical optics, Focus (optics), business, Fresnel diffraction
Abstract: International audience; FERMI@Elettra, the first seeded EUV-SXR free electron laser (FEL) facility located at Elettra Sincrotrone Trieste has been conceived to provide very short (10–100 fs) pulses with ultrahigh peak brightness and wavelengths from 100 nm to 4 nm. A section fully dedicated to the photon transport and analysis diagnostics, named PADReS, has already been installed and commissioned. Three of the beamlines, EIS-TIMEX, DiProI and LDM, installed after the PADReS section, are in advanced commissioning state and will accept the first users in December 2012. These beam lines employ active X-ray optics in order to focus the FEL beam as well as to perform a controlled beam-shaping at focus.Starting from mirror surface metrology characterization, it is difficult to predict the focal spot shape applying only methods based on geometrical optics such as the ray tracing. Within the geometrical optics approach one cannot take into account the diffraction effect from the optics edges, i.e. the aperture diffraction, and the impact of different surface spatial wavelengths to the spot size degradation. Both these effects are strongly dependent on the photon beam energy and mirror incident angles.We employed a method based on physical optics, which applies the Huygens–Fresnel principle to reflection (on which the WISE code is based). In this work we report the results of the first measurements of the focal spot in the DiProI beamline end-station and compare them to the predictions computed with Shadow code and WISE code, starting from the mirror surface profile characterization.
Published: 2013
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14. Ferromagnetic Mn-doped Si0.3Ge0.7nanodots self-assembled on Si(100)

Author: M.C. Richter, Isabelle Berbezier, Luc Favre, Francesco d'Acapito, Davide Peddis, B. Paci, A. Generosi, A. M. Testa, C. Quaresima, M. Luce, Carlo Ottaviani, M. Scarselli, Bruno Olivieri, O. Heckmann, Dino Fiorani, V. Rossi Albertini, M. De Crescenzi, A. Cricenti, J.-M. Mariot, K. Hricovini, P. De Padova, Instituto di Struttura della Materia ( ISM ), Consiglio Nazionale delle Ricerche [Roma] ( CNR ), CNR Institute of Atmospheric Sciences and Climate ( ISAC ), National Research Council [Italy] ( CNR ), Laboratoire de Chimie Physique - Matière et Rayonnement ( LCPMR ), Université Pierre et Marie Curie - Paris 6 ( UPMC ) -Centre National de la Recherche Scientifique ( CNRS ), Institut des Matériaux, de Microélectronique et des Nanosciences de Provence ( IM2NP ), Aix Marseille Université ( AMU ) -Université de Toulon ( UTLN ) -Centre National de la Recherche Scientifique ( CNRS ), Istituto di Struttura della Materia ( ISM ), Dipartimento di Fisica [Roma Tor Vergata], Università degli Studi di Roma Tor Vergata [Roma], Laboratoire de Physique des Matériaux et des Surfaces ( LPMS ), Commissariat à l'énergie atomique et aux énergies alternatives ( CEA ) -Université de Cergy Pontoise ( UCP ), Université Paris-Seine-Université Paris-Seine, CNR - Istituto Officina dei Materiali ( IOM ), Instituto di Struttura della Materia (ISM), National Research Council of Italy | Consiglio Nazionale delle Ricerche (CNR), CNR Institute of Atmospheric Sciences and Climate (ISAC), Laboratoire de Chimie Physique - Matière et Rayonnement (LCPMR), Université Pierre et Marie Curie - Paris 6 (UPMC)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS), Institut des Matériaux, de Microélectronique et des Nanosciences de Provence (IM2NP), Aix Marseille Université (AMU)-Université de Toulon (UTLN)-Centre National de la Recherche Scientifique (CNRS), Laboratoire de Physique des Matériaux et des Surfaces (LPMS), Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université de Cergy Pontoise (UCP), CNR Istituto Officina dei Materiali (IOM), Consiglio Nazionale delle Ricerche [Roma] (CNR), Consiglio Nazionale delle Ricerche (CNR), Centre National de la Recherche Scientifique (CNRS)-Institut de Chimie du CNRS (INC)-Université Pierre et Marie Curie - Paris 6 (UPMC), Université de Toulon (UTLN)-Centre National de la Recherche Scientifique (CNRS)-Aix Marseille Université (AMU), Université de Cergy Pontoise (UCP), and Université Paris-Seine-Université Paris-Seine-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)
Subjects: Silicon, Reflection high-energy electron diffraction, Materials science, Surface Properties, Analytical chemistry, SEMICONDUCTOR, MN5GE3, Microscopy, Atomic Force, 01 natural sciences, Settore FIS/03 - Fisica della Materia, semiconductor, magnetization, manganese, silicon, Microscopy, Electron, Transmission, X-Ray Diffraction, 0103 physical sciences, Nanotechnology, Energy filtered transmission electron microscopy, General Materials Science, [PHYS.COND]Physics [physics]/Condensed Matter [cond-mat], 010306 general physics, ComputingMilieux_MISCELLANEOUS, 010302 applied physics, Manganese, Condensed matter physics, Germanium, Temperature, MAGNETIZATION, Condensed Matter Physics, Nanostructures, Electron diffraction, Transmission electron microscopy, X-ray crystallography, Curie temperature, Crystallite, Nanodot, [ PHYS.COND ] Physics [physics]/Condensed Matter [cond-mat]
Abstract: Densely packed epitaxial Mn-doped Si(0.3)Ge(0.7) nanodots self-assembled on Si(100) have been obtained. Their structural properties were studied using reflection high-energy electron diffraction, energy dispersive x-ray diffraction, atomic force microscopy, extended x-ray absorption fine structure measurements and high-resolution transmission electron microscopy. Mn(5)Ge(1)Si(2) crystallites embedded in Si(0.3)Ge(0.7) were found. They exhibit a ferromagnetic behaviour with a Curie temperature of about 225 K.
Published: 2012
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15. Investigation of the thermal stability of Mg/Co periodic multilayers for EUV applications

Author: Haochuan Li, Angela Giglia, Nicola Mahne, S.-K. Zhou, Michael Walls, Jean-Michel André, K. Le Guen, Philippe Jonnard, Jie Zhu, M.-H. Hu, Zhanshan Wang, Imène Esteve, Stefano Nannarone, Christian Meny, Laboratoire de Chimie Physique - Matière et Rayonnement ( LCPMR ), Université Pierre et Marie Curie - Paris 6 ( UPMC ) -Centre National de la Recherche Scientifique ( CNRS ), Institute of Precision Optical Engineering. ( IPOE ), Tongji University, Institut de Physique et Chimie des Matériaux de Strasbourg ( IPCMS ), Université de Strasbourg ( UNISTRA ) -Centre National de la Recherche Scientifique ( CNRS ) -Matériaux et nanosciences d'Alsace, Université de Strasbourg ( UNISTRA ) -Université de Haute-Alsace (UHA) Mulhouse - Colmar ( Université de Haute-Alsace (UHA) ) -Institut National de la Santé et de la Recherche Médicale ( INSERM ) -Centre National de la Recherche Scientifique ( CNRS ) -Université de Strasbourg ( UNISTRA ) -Université de Haute-Alsace (UHA) Mulhouse - Colmar ( Université de Haute-Alsace (UHA) ) -Institut National de la Santé et de la Recherche Médicale ( INSERM ) -Centre National de la Recherche Scientifique ( CNRS ) -Réseau nanophotonique et optique, Université de Strasbourg ( UNISTRA ) -Université de Haute-Alsace (UHA) Mulhouse - Colmar ( Université de Haute-Alsace (UHA) ) -Centre National de la Recherche Scientifique ( CNRS ) -Université de Strasbourg ( UNISTRA ), CNR - Istituto Officina dei Materiali ( IOM ), Consiglio Nazionale delle Ricerche [Roma] ( CNR ), Institut de minéralogie et de physique des milieux condensés ( IMPMC ), Université Pierre et Marie Curie - Paris 6 ( UPMC ) -IPG PARIS-Université Paris Diderot - Paris 7 ( UPD7 ) -Centre National de la Recherche Scientifique ( CNRS ), Laboratoire de Physique des Solides ( LPS ), Université Paris-Sud - Paris 11 ( UP11 ) -Centre National de la Recherche Scientifique ( CNRS ), Laboratoire de Chimie Physique - Matière et Rayonnement (LCPMR), Université Pierre et Marie Curie - Paris 6 (UPMC)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS), Institute of Precision Optical Engineering [Shangai] (IPOE), Institut de Physique et Chimie des Matériaux de Strasbourg (IPCMS), Université de Strasbourg (UNISTRA)-Centre National de la Recherche Scientifique (CNRS)-Matériaux et Nanosciences Grand-Est (MNGE), Université de Strasbourg (UNISTRA)-Université de Haute-Alsace (UHA) Mulhouse - Colmar (Université de Haute-Alsace (UHA))-Institut National de la Santé et de la Recherche Médicale (INSERM)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Université de Strasbourg (UNISTRA)-Université de Haute-Alsace (UHA) Mulhouse - Colmar (Université de Haute-Alsace (UHA))-Institut National de la Santé et de la Recherche Médicale (INSERM)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Réseau nanophotonique et optique, Université de Strasbourg (UNISTRA)-Université de Haute-Alsace (UHA) Mulhouse - Colmar (Université de Haute-Alsace (UHA))-Centre National de la Recherche Scientifique (CNRS)-Université de Strasbourg (UNISTRA)-Centre National de la Recherche Scientifique (CNRS), CNR Istituto Officina dei Materiali (IOM), National Research Council of Italy | Consiglio Nazionale delle Ricerche (CNR), Institut de minéralogie et de physique des milieux condensés (IMPMC), Université Pierre et Marie Curie - Paris 6 (UPMC)-Université Paris Diderot - Paris 7 (UPD7)-Institut de Physique du Globe de Paris (IPG Paris)-Centre National de la Recherche Scientifique (CNRS), Laboratoire de Physique des Solides (LPS), Université Paris-Sud - Paris 11 (UP11)-Centre National de la Recherche Scientifique (CNRS), Centre National de la Recherche Scientifique (CNRS)-Institut de Chimie du CNRS (INC)-Université Pierre et Marie Curie - Paris 6 (UPMC), Université de Strasbourg (UNISTRA)-Matériaux et nanosciences d'Alsace (FMNGE), Institut de Chimie du CNRS (INC)-Université de Strasbourg (UNISTRA)-Université de Haute-Alsace (UHA) Mulhouse - Colmar (Université de Haute-Alsace (UHA))-Institut National de la Santé et de la Recherche Médicale (INSERM)-Centre National de la Recherche Scientifique (CNRS)-Institut de Chimie du CNRS (INC)-Université de Strasbourg (UNISTRA)-Université de Haute-Alsace (UHA) Mulhouse - Colmar (Université de Haute-Alsace (UHA))-Institut National de la Santé et de la Recherche Médicale (INSERM)-Centre National de la Recherche Scientifique (CNRS)-Centre National de la Recherche Scientifique (CNRS)-Réseau nanophotonique et optique, Centre National de la Recherche Scientifique (CNRS)-Université de Strasbourg (UNISTRA)-Université de Haute-Alsace (UHA) Mulhouse - Colmar (Université de Haute-Alsace (UHA))-Centre National de la Recherche Scientifique (CNRS)-Université de Strasbourg (UNISTRA), Consiglio Nazionale delle Ricerche [Roma] (CNR), Université Pierre et Marie Curie - Paris 6 (UPMC)-IPG PARIS-Université Paris Diderot - Paris 7 (UPD7)-Centre National de la Recherche Scientifique (CNRS), and Centre National de la Recherche Scientifique (CNRS)-Université Paris-Sud - Paris 11 (UP11)
Subjects: Materials science, Annealing (metallurgy), Scanning electron microscope, Extreme ultraviolet lithography, Mg, Analytical chemistry, FOS: Physical sciences, 02 engineering and technology, 01 natural sciences, Co, 0103 physical sciences, Scanning transmission electron microscopy, General Materials Science, Thermal stability, Emission spectrum, 010302 applied physics, Condensed Matter - Materials Science, [PHYS.PHYS.PHYS-OPTICS]Physics [physics]/Physics [physics]/Optics [physics.optics], electron energy loss spectroscopy, [ PHYS.PHYS.PHYS-OPTICS ] Physics [physics]/Physics [physics]/Optics [physics.optics], multilayer, Electron energy loss spectroscopy, Materials Science (cond-mat.mtrl-sci), General Chemistry, x-ray emission spectroscopy, [ PHYS.COND.CM-GEN ] Physics [physics]/Condensed Matter [cond-mat]/Other [cond-mat.other], EUV reflectivity, 021001 nanoscience & nanotechnology, 3. Good health, nuclear magnetism resonance spectroscopy, Condensed Matter - Other Condensed Matter, Chemical state, [PHYS.COND.CM-GEN]Physics [physics]/Condensed Matter [cond-mat]/Other [cond-mat.other], scanning transmission electron microscopy, interface, annealing, 0210 nano-technology, scanning electron microscopy, Physics - Optics, Other Condensed Matter (cond-mat.other), Optics (physics.optics)
Abstract: We present the results of the characterization of Mg/Co periodic multilayers and their thermal stability for the EUV range. The annealing study is performed up to a temperature of 400\degree C. Images obtained by scanning transmission electron microscopy and electron energy loss spectroscopy clearly show the good quality of the multilayer structure. The measurements of the EUV reflectivity around 25 nm (~49 eV) indicate that the reflectivity decreases when the annealing temperature increases above 300\degreeC. X-ray emission spectroscopy is performed to determine the chemical state of the Mg atoms within the Mg/Co multilayer. Nuclear magnetic resonance used to determine the chemical state of the Co atoms and scanning electron microscopy images of cross sections of the Mg/Co multilayers reveal changes in the morphology of the stack from an annealing temperature of 305\degreee;C. This explains the observed reflectivity loss., Comment: Published in Applied Physics A: Materials Science \& Processing Published at http://www.springerlink.com.chimie.gate.inist.fr/content/6v396j6m56771r61/ 21 pages
Published: 2011
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16. Structure and Energetics of Dye-Sensitized NiO Interfaces in Water from Ab Initio MD and Large-Scale GW Calculations

Author: Simone Piccinin, Dario Rocca, Alekos Segalina, Mariachiara Pastore, Sébastien Lebègue, Laboratoire de Physique et Chimie Théoriques (LPCT), Institut de Chimie du CNRS (INC)-Université de Lorraine (UL)-Centre National de la Recherche Scientifique (CNRS), CNR Istituto Officina dei Materiali (IOM), and Consiglio Nazionale delle Ricerche [Roma] (CNR)
Subjects: Materials science, business.industry, Non-blocking I/O, Ab initio, Solvation, 02 engineering and technology, 021001 nanoscience & nanotechnology, 01 natural sciences, 7. Clean energy, Molecular physics, Computer Science Applications, [CHIM.THEO]Chemical Sciences/Theoretical and/or physical chemistry, Electron transfer, Semiconductor, 0103 physical sciences, Molecule, Physics::Chemical Physics, Physical and Theoretical Chemistry, 010306 general physics, 0210 nano-technology, business, Absorption (electromagnetic radiation), HOMO/LUMO
Abstract: International audience; The energy-level alignment across solvated molecule/semiconductor interfaces is a crucial property for the correct functioning of dye-sensitized photoelectrodes, where, following the absorption of solar light, a cascade of interfacial hole/electron transfer processes has to efficiently take place. In light of the difficulty of performing X-ray photoelectron spectroscopy measurements at the molecule/solvent/metal–oxide interface, being able to accurately predict the level alignment by first-principles calculations on realistic structural models would represent an important step toward the optimization of the device. In this respect, dye/NiO surfaces, employed in p-type dye-sensitized solar cells, are undoubtedly challenging for ab initio methods and, also for this reason, much less investigated than the n-type dye/TiO2 counterpart. Here, we consider the C343-sensitized NiO surface in water and combine ab initio molecular dynamics (AIMD) simulations with GW (G0W0) calculations, performed along the MD trajectory to reliably describe the structure and energetics of the interface when explicit solvation and finite temperature effects are accounted for. We show that the differential perturbative correction on the NiO and molecule states obtained at the GW level is mandatory to recover the correct (physical) interfacial energetics, allowing hole transfer from the semiconductor valence band to the highest occupied molecular orbital (HOMO) of the dye. Moreover, the calculated average driving force quantitatively agrees with the experimental estimate
Published: 2021
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17. Double excitation energies from quantum Monte Carlo using state-specific energy optimization

Author: Stuart Shepard, Ramón L. Panadés-Barrueta, Saverio Moroni, Anthony Scemama, Claudia Filippi, Institute for Nanotechnology (MESA+), University of Twente, CNR Istituto Officina dei Materiali (IOM), National Research Council of Italy | Consiglio Nazionale delle Ricerche (CNR), Laboratoire de Chimie et Physique Quantiques Laboratoire (LCPQ), Université Toulouse III - Paul Sabatier (UT3), Université de Toulouse (UT)-Université de Toulouse (UT)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Fédération de recherche « Matière et interactions » (FeRMI), Institut National des Sciences Appliquées - Toulouse (INSA Toulouse), Institut National des Sciences Appliquées (INSA)-Université de Toulouse (UT)-Institut National des Sciences Appliquées (INSA)-Université de Toulouse (UT)-Université Toulouse III - Paul Sabatier (UT3), Université de Toulouse (UT)-Centre National de la Recherche Scientifique (CNRS)-Institut National des Sciences Appliquées - Toulouse (INSA Toulouse), Institut National des Sciences Appliquées (INSA)-Université de Toulouse (UT)-Institut National des Sciences Appliquées (INSA)-Centre National de la Recherche Scientifique (CNRS), Computational Chemical Physics, and MESA+ Institute
Subjects: Chemical Physics (physics.chem-ph), [CHIM.THEO]Chemical Sciences/Theoretical and/or physical chemistry, Quantum Physics, Physics - Chemical Physics, UT-Hybrid-D, FOS: Physical sciences, Physical and Theoretical Chemistry, Computational Physics (physics.comp-ph), Quantum Physics (quant-ph), Physics - Computational Physics, Computer Science Applications
Abstract: International audience; We show that recently developed quantum Monte Carlo methods, which provide accurate vertical transition energies for single excitations, also successfully treat double excitations. We study the double excitations in medium-sized molecules, some of which are challenging for high level coupled-cluster calculations to model accurately. Our fixed-node diffusion Monte Carlo excitation energies are in very good agreement with reliable benchmarks, when available, and provide accurate predictions for excitation energies of difficult systems where reference values are lacking.
Published: 2022
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18. Unveiling the atomic position of C in Mn5Ge3Cx thin films

Author: Michez L. -A., Petit M., Heresanu V., Le Thanh V., Prestat E., D'Acapito F., Ramasse Q., Boscherini F., Pochet P., Jamet M., Centre Interdisciplinaire de Nanoscience de Marseille (CINaM), Aix Marseille Université (AMU)-Centre National de la Recherche Scientifique (CNRS), School of Materials, University of Manchester, European Synchroton Radiation Facility [Grenoble] (ESRF), CNR Istituto Officina dei Materiali (IOM), National Research Council of Italy | Consiglio Nazionale delle Ricerche (CNR), National Facility for Aberration Corrected STEM (SuperSTEM), SciTechDaresbury Campus, Alma Mater Studiorum Università di Bologna [Bologna] (UNIBO), Institut de Recherche Interdisciplinaire de Grenoble (IRIG), Direction de Recherche Fondamentale (CEA) (DRF (CEA)), Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA), SPINtronique et TEchnologie des Composants (SPINTEC), Centre National de la Recherche Scientifique (CNRS)-Institut de Recherche Interdisciplinaire de Grenoble (IRIG), Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Direction de Recherche Fondamentale (CEA) (DRF (CEA)), Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université Grenoble Alpes (UGA), Michez L.-A., Petit M., Heresanu V., Le Thanh V., Prestat E., D'Acapito F., Ramasse Q., Boscherini F., Pochet P., and Jamet M.
Subjects: X-ray absorption fine structure, Doping, [PHYS.COND.CM-MS]Physics [physics]/Condensed Matter [cond-mat]/Materials Science [cond-mat.mtrl-sci], semiconductor
Abstract: International audience; Heavily carbon-doped Mn$_5$Ge$_3$ is a unique compound for spintronics applications as it meets all the requirements for spin injection and detection in group-IV semiconductors. Despite the great improvement of the magnetic properties induced by C incorporation into Mn$_5$Ge$_3$ compounds, very little information is available on its structural properties and the genuine role played by C atoms. In this paper, we have used a combination of advanced techniques to extensively characterize the structural and magnetic properties of Mn$_5$Ge$_3$C$_x$ films grown on Ge(111) by solid phase epitaxy as a function of C concentration. The increase of the Curie temperature induced by C doping up to 435 K is accompanied by a decrease of the out-of-plane c-lattice parameter. The Mn and C chemical environments and positions in the Mn$_5$Ge$_3$ lattice have been thoroughly investigated using x-ray absorption spectroscopy techniques (x-ray absorption near-edge structures and extended x-ray absorption fine structures) and scanning transmission electronic microscopy (STEM) combined to electron energy loss spectroscopy for the chemical analysis. The results have been systematically compared to a variety of structures that were identified as favorable in terms of formation energy by ab initio calculations. For $x \le$ 0.5, the C atoms are mainly located in the octahedral voids formed by Mn atoms, which is confirmed by simulations and seen for the first time in real space by STEM. However, the latter reveals an inhomogeneous C incorporation, which is qualitatively correlated to the broad magnetic transition temperature. A higher C concentration leads to theformation of manganese carbide clusters that we identified as Mn$_{23}$C$_6$. Interestingly, other types of defects, such as interstitial Ge atoms, vacancies of Mn, and their association into line defects have been detected. They take part in the strain relaxation process and are likely to be intimately related to the growth process. This paper provides a complete picture of the structure of Mn$_5$Ge$_3$C$_x$ in thin films grown by solid phase epitaxy, which is essential for optimizing their magnetic properties.
Published: 2022
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19. Analysis of Resonant Soft X-ray Reflectivity of Anisotropic Layered Materials

Author: Angelo Giglia, Raffaella Capelli, Matteo Bonfatti, Lorenzo Sponza, Emanuele Galligani, Adriano Verna, Luca Pasquali, Nicola Mahne, Stefano Nannarone, Francesco Mezzadri, Università degli Studi di Modena e Reggio Emilia (UNIMORE), CNR Istituto Officina dei Materiali (IOM), Consiglio Nazionale delle Ricerche [Roma] (CNR), University of Johannesburg (UJ), Università degli Studi Roma Tre, LEM, UMR 104, CNRS-ONERA, Université Paris-Saclay (Laboratoire d'étude des microstructures), ONERA-Université Paris-Saclay-Centre National de la Recherche Scientifique (CNRS), Pasquali, L, Mahne, N, Giglia, A, Verna, A, Sponza, L, Capelli, R, Bonfatti, M, Mezzadri, F, Galligani, E, and Nannarone, S
Subjects: [PHYS]Physics [physics], Materials science, Condensed matter physics, Physics, QC1-999, organic thin films, Electronic structure, 010502 geochemistry & geophysics, 01 natural sciences, Reflectivity, anisotropic optical propertie, soft X-ray reflectivity, [SPI]Engineering Sciences [physics], Orientation (geometry), 0103 physical sciences, anisotropic optical properties, [CHIM]Chemical Sciences, Molecule, Specular reflection, Thin film, 010306 general physics, Absorption (electromagnetic radiation), Anisotropy, 0105 earth and related environmental sciences
Abstract: We present here a method for the quantitative prediction of the spectroscopic specular reflectivity line-shape in anisotropic layered media. The method is based on a 4 &times, 4 matrix formalism and on the simulation from the first principles (through density functional theory&mdash, DFT) of the anisotropic absorption cross-section. The approach was used to simulate the reflectivity at the oxygen K-edge of a 3,4,9,10-perylene-tetracarboxylic dianhydride (PTCDA) thin film on Au(111). The effect of film thickness, orientation of the molecules, and grazing incidence angle were considered. The simulation results were compared to the experiment, permitting us to derive information on the film geometry, thickness, and morphology, as well as the electronic structure.
Published: 2021
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20. Activation–Relaxation Technique: An efficient way to find minima and saddle points of potential energy surfaces

Author: Antoine Jay, Miha Gunde, Nicolas Salles, Matic Poberžnik, Layla Martin-Samos, Nicolas Richard, Stefano de Gironcoli, Normand Mousseau, Anne Hémeryck, Équipe Modélisation Multi-niveaux des Matériaux (LAAS-M3), Laboratoire d'analyse et d'architecture des systèmes (LAAS), Université Toulouse Capitole (UT Capitole), Université de Toulouse (UT)-Université de Toulouse (UT)-Institut National des Sciences Appliquées - Toulouse (INSA Toulouse), Institut National des Sciences Appliquées (INSA)-Université de Toulouse (UT)-Institut National des Sciences Appliquées (INSA)-Université Toulouse - Jean Jaurès (UT2J), Université de Toulouse (UT)-Université Toulouse III - Paul Sabatier (UT3), Université de Toulouse (UT)-Centre National de la Recherche Scientifique (CNRS)-Institut National Polytechnique (Toulouse) (Toulouse INP), Université de Toulouse (UT)-Université Toulouse Capitole (UT Capitole), Université de Toulouse (UT), CNR Istituto Officina dei Materiali (IOM), National Research Council of Italy | Consiglio Nazionale delle Ricerche (CNR), CEA DAM ILE-DE-FRANCE - Bruyères-le-Châtel [Arpajon] (CEA DAM IDF), Scuola Internazionale Superiore di Studi Avanzati / International School for Advanced Studies (SISSA / ISAS), and Université de Montréal (UdeM)
Subjects: [PHYS]Physics [physics], atomistic diffusion, General Computer Science, catalysis reactions, saddle-point search, General Physics and Astronomy, General Chemistry, Computational Mathematics, atomistic modelling, Mechanics of Materials, [CHIM]Chemical Sciences, General Materials Science, activated mechanisms, activation-relaxation technique
Abstract: International audience; The Activation–Relaxation Technique (ARTn) is an efficient technique for finding the minima and saddle points of multidimensional functions such as the potential energy surface of atomic systems in chemistry. In this work we detail and illustrate significant improvements made to the algorithm, regarding both preprocessing and the activation process itself. As showcased, these advances significantly reduce ARTn computational costs, especially when applied with ab initio description. With these modifications, ARTn establishes itself as a very efficient method for exploring the energy landscape and chemical reactions associated with complex mechanisms.
Published: 2022
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21. Common defects in diamond lattices as instances of the general T ⊗ (e+t2) Jahn-Teller effect

Author: Gabriela Herrero-Saboya, Layla Martin-Samos, Nicolas Richard, Anne Hemeryck, CNR Istituto Officina dei Materiali (IOM), National Research Council of Italy | Consiglio Nazionale delle Ricerche (CNR), CEA DAM ILE-DE-FRANCE - Bruyères-le-Châtel [Arpajon] (CEA DAM IDF), Équipe Modélisation Multi-niveaux des Matériaux (LAAS-M3), Laboratoire d'analyse et d'architecture des systèmes (LAAS), Université Toulouse Capitole (UT Capitole), Université de Toulouse (UT)-Université de Toulouse (UT)-Institut National des Sciences Appliquées - Toulouse (INSA Toulouse), Institut National des Sciences Appliquées (INSA)-Université de Toulouse (UT)-Institut National des Sciences Appliquées (INSA)-Université Toulouse - Jean Jaurès (UT2J), Université de Toulouse (UT)-Université Toulouse III - Paul Sabatier (UT3), Université de Toulouse (UT)-Centre National de la Recherche Scientifique (CNRS)-Institut National Polytechnique (Toulouse) (Toulouse INP), Université de Toulouse (UT)-Université Toulouse Capitole (UT Capitole), and Université de Toulouse (UT)
Subjects: [PHYS]Physics [physics], Physics and Astronomy (miscellaneous), [PHYS.COND.CM-MS]Physics [physics]/Condensed Matter [cond-mat]/Materials Science [cond-mat.mtrl-sci], General Materials Science
Abstract: International audience; Finding the ground-state configuration of point defects in semiconductors is in general a high-dimensional optimization problem. However, their adiabatic potential energy surfaces (APES) can be described with few effective coordinates by exploiting symmetry arguments within the Jahn-Teller (JT) theoretical framework. In this paper, we propose a general framework, that combines group theory and ab initio calculations, to build a full picture of common defects in diamond lattices (vacancies and substitutional impurities) as instances of the general T ⊗ (e + t 2) APES. Starting from the original tetrahedral symmetry, we consider all possible JT symmetries and we numerically investigate the shape of the APES by targeting the minimum energy path between equivalent JT distortions taking as examples the vacancy (V) and the metallic impurities Pd, Pt, and Au in crystalline silicon.
Published: 2022
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22. The photochemical ring-opening reaction of 1,3-cyclohexadiene: complex dynamical evolution of the reactive state

Author: Travnikova, O., Pite��a, T., Ponzi, A., Sapunar, M., Squibb, R. J., Richter, R., Finetti, P., Di Fraia, M., De Fanis, A., Mahne, N., Manfredda, M., Zhaunerchyk, V., Marchenko, T., Guillemin, R., Journel, L., Prince, K. C., Callegari, C., Simon, M., Feifel, R., Decleva, P., Do��li��, N., Piancastelli, M. N., Laboratoire de Chimie Physique - Matière et Rayonnement (LCPMR), Institut de Chimie du CNRS (INC)-Sorbonne Université (SU)-Centre National de la Recherche Scientifique (CNRS), Institut Ruđer Bošković (IRB), University of Gothenburg (GU), Elettra Sincrotrone Trieste, European XFEL Gmbh, CNR Istituto Officina dei Materiali (IOM), Consiglio Nazionale delle Ricerche [Roma] (CNR), Università degli studi di Trieste, and Uppsala University
Subjects: Chemical Physics (physics.chem-ph), [CHIM.THEO]Chemical Sciences/Theoretical and/or physical chemistry, Physics - Chemical Physics, FOS: Physical sciences
Abstract: The photochemically induced ring-opening isomerization reaction of 1,3-cyclohexadiene (CHD) to 1,3,5-hexatriene (HT) is a textbook example of a pericyclic reaction, and has been amply investigated with advanced spectroscopic techniques. The generally accepted description of the isomerization pathway starts with a valence excitation to the lowest-lying bright state, followed by a passage through a conical intersection to a dark doubly excited state, and finally a branching between either the return to the ground state of the cyclic molecule or the actual ring-opening reaction leading to the open-chain isomer. It was traditionally assumed that the dark reactive state corresponds to the second excited state of CHD at the Franck-Condon geometry. Here in a joint experimental and computational effort we demonstrate that the evolution of the excitation-deexcitation process is much more complex than usually described. In particular, we show that an initially high-lying electronic state smoothly decreasing in energy along the reaction path plays a key role in the ring-opening reaction. The conceptual basis of our work is that the dynamics to consider here is determined by diabatic states, whose populations are the ones closely related to the observed photoelectron signal., Sumbitted to Nature Communications (under review)
Published: 2022

23. Nonlinear harmonics of a seeded free-electron laser as a coherent and ultrafast probe to investigate matter at the water window and beyond

Author: G. Penco, G. Perosa, E. Allaria, L. Badano, F. Bencivenga, A. Brynes, C. Callegari, F. Capotondi, A. Caretta, P. Cinquegrana, S. Dal Zilio, M. B. Danailov, D. De Angelis, A. Demidovich, S. Di Mitri, L. Foglia, G. Gaio, A. Gessini, L. Giannessi, G. Kurdi, M. Manfredda, M. Malvestuto, C. Masciovecchio, R. Mincigrucci, I. Nikolov, E. Pedersoli, S. Pelli Cresi, E. Principi, P. Rebernik, A. Simoncig, S. Spampinati, C. Spezzani, F. Sottocorona, M. Trovó, M. Zangrando, V. Chardonnet, M. Hennes, J. Lüning, B. Vodungbo, P. Bougiatioti, C. David, B. Roesner, M. Sacchi, E. Roussel, E. Jal, G. De Ninno, Penco, G, Perosa, G, Allaria, E, Badano, L, Bencivenga, F, Brynes, A, Callegari, C, Capotondi, F, Caretta, A, Cinquegrana, P, Dal Zilio, S, Danailov, Mb, De Angelis, D, Demidovich, A, Di Mitri, S, Foglia, L, Gaio, G, Gessini, A, Giannessi, L, Kurdi, G, Manfredda, M, Malvestuto, M, Masciovecchio, C, Mincigrucci, R, Nikolov, I, Pedersoli, E, Cresi, Sp, Principi, E, Rebernik, P, Simoncig, A, Spampinati, S, Spezzani, C, Sottocorona, F, Trovo, M, Zangrando, M, Chardonnet, V, Hennes, M, Luning, J, Vodungbo, B, Bougiatioti, P, David, C, Roesner, B, Sacchi, M, Roussel, E, Jal, E, De Ninno, G, Elettra Sincrotrone Trieste, Università degli studi di Trieste = University of Trieste, Deutsches Elektronen-Synchrotron [Hamburg] (DESY), CNR Istituto Officina dei Materiali (IOM), National Research Council of Italy | Consiglio Nazionale delle Ricerche (CNR), INFN- Laboratori Nazionali di Frascati, Laboratoire de Chimie Physique - Matière et Rayonnement (LCPMR), Institut de Chimie du CNRS (INC)-Sorbonne Université (SU)-Centre National de la Recherche Scientifique (CNRS), Paul Scherrer Institute (PSI), Croissance et propriétés de systèmes hybrides en couches minces (INSP-E8), Institut des Nanosciences de Paris (INSP), Sorbonne Université (SU)-Centre National de la Recherche Scientifique (CNRS)-Sorbonne Université (SU)-Centre National de la Recherche Scientifique (CNRS), Synchrotron SOLEIL (SSOLEIL), Centre National de la Recherche Scientifique (CNRS), Laboratoire de Physique des Lasers, Atomes et Molécules - UMR 8523 (PhLAM), Université de Lille-Centre National de la Recherche Scientifique (CNRS), DYnamique des Systèmes COmplexes (DYSCO), Université de Lille-Centre National de la Recherche Scientifique (CNRS)-Université de Lille-Centre National de la Recherche Scientifique (CNRS), and University of Nova Gorica
Subjects: Non-linear Harmonic, [PHYS.PHYS.PHYS-OPTICS]Physics [physics]/Physics [physics]/Optics [physics.optics], [SPI.OPTI]Engineering Sciences [physics]/Optics / Photonic, [PHYS.COND.CM-MS]Physics [physics]/Condensed Matter [cond-mat]/Materials Science [cond-mat.mtrl-sci], Non-linear Harmonics, Coherence, Water window, ddc:530, [PHYS.COND.CM-SCM]Physics [physics]/Condensed Matter [cond-mat]/Soft Condensed Matter [cond-mat.soft]
Abstract: Physical review / A 105(5), 053524 (2022). doi:10.1103/PhysRevA.105.053524, The advent of free-electron lasers (FELs) in the soft- and hard-x-ray spectral regions has introduced the possibility to probe electronic, magnetic, and structural dynamics, in both diluted and condensed matter samples, with femtosecond time resolution. In particular, FELs have strongly enhanced the capabilities of several analytical techniques, which have taken advantage of the high degree of transverse coherence provided. Free-electron lasers based on the harmonic up-conversion of an external coherent source (seed) are characterized also by a high degree of longitudinal coherence, since electrons inherit the coherence properties of the seed. For the state of the art, the shortest wavelength delivered to user experiments by an externally seeded FEL light source is about 4 nm. In this paper we demonstrate that pulses with a high longitudinal degree of coherence (first and second order) covering the water window and with photon energy extending up to 790 eV can be generated by exploiting the so-called nonlinear harmonic regime, which allows generation of radiation at harmonics of the resonant FEL wavelength. In order to show the suitability of the nonlinear harmonics generated by a seeded FEL for research in the water window and beyond, we report the results of two proof-of-principle experiments: one measuring the oxygen $K$-edge absorption in water (∼$530$ eV) and the other analyzing the spin dynamics of Fe and Co through magnetic small-angle x-ray scattering at their $L$ edges (707 and 780 eV, respectively)., Published by Inst., Woodbury, NY
Published: 2022
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24. Electronic structure of Bi nanolines on InAs(100)

Author: Dhani Nafday, Christine Richter, Olivier Heckmann, Weimin Wang, Jean-Michel Mariot, Uros Djukic, Ivana Vobornik, Patrick Lefevre, Amina Taleb-Ibrahimi, Franco̧is Bertran, Julien Rault, Laurent Nicolaï, Chin Shen Ong, Patrik Thunström, Karol Hricovini, Ján Minár, Igor Di Marco, Asia Pacific Center for Theoretical Physics (APCTP), Laboratoire Interactions, Dynamiques et Lasers (ex SPAM) (LIDyl), Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université Paris-Saclay-Centre National de la Recherche Scientifique (CNRS), Dynamique et Interactions en phase Condensée (DICO), Institut Rayonnement Matière de Saclay (IRAMIS), Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université Paris-Saclay-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université Paris-Saclay-Laboratoire Interactions, Dynamiques et Lasers (ex SPAM) (LIDyl), Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université Paris-Saclay-Centre National de la Recherche Scientifique (CNRS)-Centre National de la Recherche Scientifique (CNRS), Laboratoire de Physique des Matériaux et des Surfaces (LPMS), Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-CY Cergy Paris Université (CY), Xi'an Jiaotong University (Xjtu), Laboratoire de Chimie Physique - Matière et Rayonnement (LCPMR), Institut de Chimie du CNRS (INC)-Sorbonne Université (SU)-Centre National de la Recherche Scientifique (CNRS), CNR Istituto Officina dei Materiali (IOM), National Research Council of Italy | Consiglio Nazionale delle Ricerche (CNR), Synchrotron SOLEIL (SSOLEIL), Centre National de la Recherche Scientifique (CNRS), University of West Bohemia [Plzeň ], Department of Physics and Astronomy [Uppsala], and Uppsala University
Subjects: [PHYS]Physics [physics], Bi nanolines, Photoemission spectroscopy, General Physics and Astronomy, Self-assembly, Density-functional theory, Surfaces and Interfaces, General Chemistry, Condensed Matter Physics, Den kondenserade materiens fysik, InAs surface, Surfaces, Coatings and Films
Abstract: International audience; Self-assembled nanolines are attractive to build the technological devices of next generation, but characterizing their electronic properties is often difficult to achieve. In this work we employ angle-resolved photoemission spectroscopy and density functional theory to clarify the electronic structure exhibited by self-assembled Bi nanolines grown on the InAs(100) surface. A surface resonance associated to the reconstructed (4 2) surface is visible in the photoemission spectra before and after the formation of the Bi nanolines. This demonstrates that Bi deposition does not necessarily drive a transition to an unreconstructed surface in the substrate, which is contrary to what was reported in previous studies. In addition, experiment and theory show the presence of a flat band located in the band gap of InAs, just above the valence band maximum. This flat band is associated to the Bi nanolines and possesses a strong orbital character, consistent with its unidimensional nature. These spectral features suggest that Bi nanolines on InAs(100) may have a strongly polarized conductivity, which makes them suitable to be exploited as nanowires in nanotechnology. The coexistence with an accumulation layer suggests an even farther functionalization.
Published: 2023
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25. Determination of the magnetization profile of Co/Mg periodic multilayers by magneto-optic Kerr effect and X-ray magnetic resonant reflectivity

Author: P Jonnard1, K Le Guen1, J-M André1, R Delaunay1, N Mahne2, A Giglia2, S Nannarone2, 3, A Verna2, Z-S Wang4, J-T Zhu4, S-K Zhou4, Laboratoire de Chimie Physique - Matière et Rayonnement ( LCPMR ), Université Pierre et Marie Curie - Paris 6 ( UPMC ) -Centre National de la Recherche Scientifique ( CNRS ), CNR - Istituto Officina dei Materiali ( IOM ), Consiglio Nazionale delle Ricerche [Roma] ( CNR ), Laboratorio Nazionale TASC ( TASC ), Consiglio Nazionale delle Ricerche ( CNR ), Institute of Precision Optical Engineering. ( IPOE ), Tongji University, Laboratoire de Chimie Physique - Matière et Rayonnement (LCPMR), Université Pierre et Marie Curie - Paris 6 (UPMC)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS), CNR Istituto Officina dei Materiali (IOM), Consiglio Nazionale delle Ricerche [Roma] (CNR), Laboratorio Nazionale TASC (TASC), Consiglio Nazionale delle Ricerche (CNR), Institute of Precision Optical Engineering [Shangai] (IPOE), National Research Council of Italy | Consiglio Nazionale delle Ricerche (CNR), AA. VV., Jonnard, P., Le Guen, K., André, J. M., Delaunay, R., Mahne, N., Giglia, A., Nannarone, S., Verna, Adriano, Wang, Z. S., Zhu, J. T., and Zhou, S. K.
Subjects: History, Materials science, FOS: Physical sciences, Bragg peak, 02 engineering and technology, magnesium, Dichroic glass, 01 natural sciences, Signal, Education, 010309 optics, Magnetization, X-ray magnetic resonant reflectivity, 0103 physical sciences, magneto-optic Kerr effect, Condensed Matter - Materials Science, Condensed matter physics, multilayer, X-ray, Materials Science (cond-mat.mtrl-sci), [ PHYS.COND.CM-GEN ] Physics [physics]/Condensed Matter [cond-mat]/Other [cond-mat.other], 021001 nanoscience & nanotechnology, cobalt, Computer Science Applications, Magnetic field, Absorption edge, Magneto-optic Kerr effect, [PHYS.COND.CM-GEN]Physics [physics]/Condensed Matter [cond-mat]/Other [cond-mat.other], 0210 nano-technology
Abstract: The resonant magnetic reflectivity of Co/Mg multilayers around the Co L2,3 absorption edge is simulated then measured on a specifically designed sample. The dichroic signal is obtained when making the difference between the two reflectivities measured with the magnetic field applied in two opposite directions parallel to the sample surface. The simulations show that the existence of magnetic dead layers at the interfaces between the Co and Mg layers leads to an important increase of the dichroic signal measured in the vicinity of the third Bragg peak that otherwise should be negligible. The measurements are in agreement with the model introducing 0.25 nm thick dead layers. This is attributed to the Co atoms in contact with the Mg layers and thus we conclude that the Co-Mg interfaces are abrupt from the magnetic point of view., 8 pages
Published: 2013
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26. Developing a Neural Network potential to investigate interface phenomena in solid-phase epitaxy

Author: Ruggero Lot, Layla Martin-Samos, Stefano de Gironcoli, Anne Hemeryck, Équipe Modélisation Multi-niveaux des Matériaux (LAAS-M3), Laboratoire d'analyse et d'architecture des systèmes (LAAS), Université Toulouse Capitole (UT Capitole), Université de Toulouse (UT)-Université de Toulouse (UT)-Institut National des Sciences Appliquées - Toulouse (INSA Toulouse), Institut National des Sciences Appliquées (INSA)-Université de Toulouse (UT)-Institut National des Sciences Appliquées (INSA)-Université Toulouse - Jean Jaurès (UT2J), Université de Toulouse (UT)-Université Toulouse III - Paul Sabatier (UT3), Université de Toulouse (UT)-Centre National de la Recherche Scientifique (CNRS)-Institut National Polytechnique (Toulouse) (Toulouse INP), Université de Toulouse (UT)-Université Toulouse Capitole (UT Capitole), Université de Toulouse (UT), Scuola Internazionale Superiore di Studi Avanzati / International School for Advanced Studies (SISSA / ISAS), CNR Istituto Officina dei Materiali (IOM), National Research Council of Italy | Consiglio Nazionale delle Ricerche (CNR), European Project: 871813,H2020-EU.2.1.1. - INDUSTRIAL LEADERSHIP - Leadership in enabling and industrial technologies - Information and Communication Technologies (ICT) ,MUNDFAB (2020), Université Toulouse - Jean Jaurès (UT2J)-Université Toulouse 1 Capitole (UT1), Université Fédérale Toulouse Midi-Pyrénées-Université Fédérale Toulouse Midi-Pyrénées-Centre National de la Recherche Scientifique (CNRS)-Université Toulouse III - Paul Sabatier (UT3), Université Fédérale Toulouse Midi-Pyrénées-Institut National des Sciences Appliquées - Toulouse (INSA Toulouse), Institut National des Sciences Appliquées (INSA)-Institut National des Sciences Appliquées (INSA)-Institut National Polytechnique (Toulouse) (Toulouse INP), Université Fédérale Toulouse Midi-Pyrénées-Université Toulouse - Jean Jaurès (UT2J)-Université Toulouse 1 Capitole (UT1), Université Fédérale Toulouse Midi-Pyrénées, and Consiglio Nazionale delle Ricerche [Roma] (CNR)
Subjects: [PHYS]Physics [physics], [PHYS.COND.CM-DS-NN]Physics [physics]/Condensed Matter [cond-mat]/Disordered Systems and Neural Networks [cond-mat.dis-nn], [PHYS.PHYS.PHYS-CHEM-PH]Physics [physics]/Physics [physics]/Chemical Physics [physics.chem-ph], [PHYS.COND]Physics [physics]/Condensed Matter [cond-mat], Settore FIS/03 - Fisica della Materia
Abstract: Prix du meilleur article étudiant (https://www.laas.fr/public/fr/node/6965); International audience; In this work, we develop a new neural network potential for silicon and perform accurate molecular dynamics simulations of the liquid, amorphous and diamond phases. The potential is tested against several physical properties and the solid phase epitaxy process is simulated.
Published: 2021
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27. IRA: A shape matching approach for recognition and comparison of generic atomic patterns

Author: Layla Martin-Samos, Nicolas Salles, Anne Hémeryck, Miha Gunde, Équipe Modélisation Multi-niveaux des Matériaux (LAAS-M3), Laboratoire d'analyse et d'architecture des systèmes (LAAS), Université Toulouse Capitole (UT Capitole), Université de Toulouse (UT)-Université de Toulouse (UT)-Institut National des Sciences Appliquées - Toulouse (INSA Toulouse), Institut National des Sciences Appliquées (INSA)-Université de Toulouse (UT)-Institut National des Sciences Appliquées (INSA)-Université Toulouse - Jean Jaurès (UT2J), Université de Toulouse (UT)-Université Toulouse III - Paul Sabatier (UT3), Université de Toulouse (UT)-Centre National de la Recherche Scientifique (CNRS)-Institut National Polytechnique (Toulouse) (Toulouse INP), Université de Toulouse (UT)-Université Toulouse Capitole (UT Capitole), Université de Toulouse (UT), CNR Istituto Officina dei Materiali (IOM), National Research Council of Italy | Consiglio Nazionale delle Ricerche (CNR), European Project: 871813,H2020-EU.2.1.1. - INDUSTRIAL LEADERSHIP - Leadership in enabling and industrial technologies - Information and Communication Technologies (ICT) ,MUNDFAB (2020), Université Toulouse - Jean Jaurès (UT2J)-Université Toulouse 1 Capitole (UT1), Université Fédérale Toulouse Midi-Pyrénées-Université Fédérale Toulouse Midi-Pyrénées-Centre National de la Recherche Scientifique (CNRS)-Université Toulouse III - Paul Sabatier (UT3), Université Fédérale Toulouse Midi-Pyrénées-Institut National des Sciences Appliquées - Toulouse (INSA Toulouse), Institut National des Sciences Appliquées (INSA)-Institut National des Sciences Appliquées (INSA)-Institut National Polytechnique (Toulouse) (Toulouse INP), Université Fédérale Toulouse Midi-Pyrénées-Université Toulouse - Jean Jaurès (UT2J)-Université Toulouse 1 Capitole (UT1), Université Fédérale Toulouse Midi-Pyrénées, and Consiglio Nazionale delle Ricerche [Roma] (CNR)
Subjects: FOS: Computer and information sciences, Matching (graph theory), Computer science, General Chemical Engineering, Computer Vision and Pattern Recognition (cs.CV), Computer Science - Computer Vision and Pattern Recognition, FOS: Physical sciences, Library and Information Sciences, 010402 general chemistry, Translation (geometry), 01 natural sciences, 0103 physical sciences, Singular value decomposition, Invariant (mathematics), [PHYS.COND]Physics [physics]/Condensed Matter [cond-mat], Cluster analysis, [PHYS]Physics [physics], 010304 chemical physics, [INFO.INFO-CV]Computer Science [cs]/Computer Vision and Pattern Recognition [cs.CV], General Chemistry, Computational Physics (physics.comp-ph), Silicon Dioxide, 0104 chemical sciences, Computer Science Applications, Hausdorff distance, Physics - Computational Physics, Algorithm, Rotation (mathematics), Algorithms, Software, Reference frame
Abstract: We propose a versatile, parameter-less approach for solving the shape matching problem, specifically in the context of atomic structures when atomic assignments are not known a priori. The algorithm Iteratively suggests Rotated atom-centered reference frames and Assignments (Iterative Rotations and Assignments, IRA). The frame for which a permutationally invariant set-set distance, namely the Hausdorff distance, returns minimal value is chosen as the solution of the matching problem. IRA is able to find rigid rotations, reflections, translations, and permutations between structures with different numbers of atoms, for any atomic arrangement and pattern, periodic or not. When distortions are present between the structures, optimal rotation and translation are found by further applying a standard Singular Value Decomposition-based method. To compute the atomic assignments under the one-to-one assignment constraint, we develop our own algorithm, Constrained Shortest Distance Assignments (CShDA). The overall approach is extensively tested on several structures, including distorted structural fragments. Efficiency of the proposed algorithm is shown as a benchmark comparison against two other shape matching algorithms. We discuss the use of our approach for the identification and comparison of structures and structural fragments through two examples: a replica exchange trajectory of a cyanine molecule, in which we show how our approach could aid the exploration of relevant collective coordinates for clustering the data; and an SiO$_2$ amorphous model, in which we compute distortion scores and compare them with a classical strain-based potential. The source code and benchmark data are available at \url{https://github.com/mammasmias/IterativeRotationsAssignments}., Comment: 18 pages, 19 figures
Published: 2021
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28. Kinetic Monte Carlo for Process Simulation: First Principles Calibrated Parameters for BO 2

Author: Anne Hémeryck, Nicolas Salles, Layla Martin-Samos, Sylvain Joblot, Antoine Jay, Pierre-Louis Julliard, Thomas Cabout, Fuccio Cristiano, Frederic Monsieur, Denis Rideau, Nicolas Guitard, Miha Gunde, Équipe Modélisation Multi-niveaux des Matériaux (LAAS-M3), Laboratoire d'analyse et d'architecture des systèmes (LAAS), Université Toulouse - Jean Jaurès (UT2J)-Université Toulouse 1 Capitole (UT1), Université Fédérale Toulouse Midi-Pyrénées-Université Fédérale Toulouse Midi-Pyrénées-Centre National de la Recherche Scientifique (CNRS)-Université Toulouse III - Paul Sabatier (UT3), Université Fédérale Toulouse Midi-Pyrénées-Institut National des Sciences Appliquées - Toulouse (INSA Toulouse), Institut National des Sciences Appliquées (INSA)-Institut National des Sciences Appliquées (INSA)-Institut National Polytechnique (Toulouse) (Toulouse INP), Université Fédérale Toulouse Midi-Pyrénées-Université Toulouse - Jean Jaurès (UT2J)-Université Toulouse 1 Capitole (UT1), Université Fédérale Toulouse Midi-Pyrénées, Équipe Matériaux et Procédés pour la Nanoélectronique (LAAS-MPN), STMicroelectronics [Crolles] (ST-CROLLES), CNR Istituto Officina dei Materiali (IOM), Consiglio Nazionale delle Ricerche [Roma] (CNR), European Project: 871813,H2020-EU.2.1.1. - INDUSTRIAL LEADERSHIP - Leadership in enabling and industrial technologies - Information and Communication Technologies (ICT) ,MUNDFAB (2020), Université Toulouse Capitole (UT Capitole), Université de Toulouse (UT)-Université de Toulouse (UT)-Institut National des Sciences Appliquées - Toulouse (INSA Toulouse), Institut National des Sciences Appliquées (INSA)-Université de Toulouse (UT)-Institut National des Sciences Appliquées (INSA)-Université Toulouse - Jean Jaurès (UT2J), Université de Toulouse (UT)-Université Toulouse III - Paul Sabatier (UT3), Université de Toulouse (UT)-Centre National de la Recherche Scientifique (CNRS)-Institut National Polytechnique (Toulouse) (Toulouse INP), Université de Toulouse (UT)-Université Toulouse Capitole (UT Capitole), Université de Toulouse (UT), and National Research Council of Italy | Consiglio Nazionale delle Ricerche (CNR)
Subjects: 010302 applied physics, [PHYS]Physics [physics], Materials science, TCAD, Silicon, Monte Carlo method, chemistry.chemical_element, 02 engineering and technology, Kinetic Monte Carlo, 021001 nanoscience & nanotechnology, process simulation, 01 natural sciences, Computational physics, chemistry, Ab initio quantum chemistry methods, 0103 physical sciences, Boron-Oxygen complex, Process simulation, Diffusion (business), 0210 nano-technology, Technology CAD, Refining (metallurgy)
Abstract: International audience; The diffusion path, formation energies and possible charge states of O i , O 2i and BO 2 complex are determined using ab initio calculations. We propose an ab initio based calibration for Kinetic Monte Carlo model with the aim to make possible the simulation of the formation of the BO 2 complex for process simulation.
Published: 2021
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29. Highly emissive layers based on organic/inorganic nanohybrids using Aggregation Induced Emission effect

Author: Olivier Margeat, Meriem Gaceur, Mathieu Denis, Muriel Hissler, Matthew P. Duffy, Bernard Geffroy, Xianjie Liu, Qinye Bao, Thomas Dombray, Yahia Didane, Jörg Ackermann, Alessandro Mattoni, Mats Fahlman, Pietro Delugas, Nicolas Ledos, Pierre-Antoine Bouit, Jonathan Phelipot, Denis Tondelier, Ting Wang, Centre Interdisciplinaire de Nanoscience de Marseille (CINaM), Centre National de la Recherche Scientifique (CNRS)-Aix Marseille Université (AMU), Institut des Sciences Chimiques de Rennes (ISCR), Centre National de la Recherche Scientifique (CNRS)-Institut de Chimie du CNRS (INC)-Université de Rennes 1 (UR1), Université de Rennes (UNIV-RENNES)-Université de Rennes (UNIV-RENNES)-Ecole Nationale Supérieure de Chimie de Rennes (ENSCR)-Institut National des Sciences Appliquées - Rennes (INSA Rennes), Institut National des Sciences Appliquées (INSA)-Université de Rennes (UNIV-RENNES)-Institut National des Sciences Appliquées (INSA), Linköping University (LIU), CNR Istituto Officina dei Materiali (IOM), Consiglio Nazionale delle Ricerche [Roma] (CNR), Laboratoire de physique des interfaces et des couches minces [Palaiseau] (LPICM), École polytechnique (X)-Centre National de la Recherche Scientifique (CNRS), Nanosciences et Innovation pour les Matériaux, la Biomédecine et l'Energie (ex SIS2M) (NIMBE UMR 3685), Institut Rayonnement Matière de Saclay (IRAMIS), Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université Paris-Saclay-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université Paris-Saclay-Centre National de la Recherche Scientifique (CNRS)-Institut de Chimie du CNRS (INC), Laboratoire Innovation en Chimie des Surfaces et NanoSciences (LICSEN), Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université Paris-Saclay-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université Paris-Saclay-Centre National de la Recherche Scientifique (CNRS)-Institut de Chimie du CNRS (INC)-Institut Rayonnement Matière de Saclay (IRAMIS), This work is supported by the Ministère de la Recherche et de l'Enseignement Supérieur, the CNRS, the Région Bretagne (ARED grant to NL), the French National Research Agency (ANR Fluohyb ANR-17-CE09-0020) and the SATT Sud-Est. The authors thank T. Roisnel (CDifX, ISCR) for X-ray diffraction analysis and A.Ranguis (CINaM) for AFM measurements. A.M. acknowledges MUR for project PON04a2 00490 M2M Netergit and PRACEfor awarding access to Marconi KNL at CINECA, Italy, through project PROVING-IL (2019204911)., ANR-17-CE09-0020,FluoHyb,Nouveaux matériaux hybrides fluorescents basés sur le concept de l'émission induite par agrégation de chromophores organiques greffés sur des nanoparticules inorganiques.(2017), Aix Marseille Université (AMU)-Centre National de la Recherche Scientifique (CNRS), Université de Rennes (UR)-Institut National des Sciences Appliquées - Rennes (INSA Rennes), Institut National des Sciences Appliquées (INSA)-Institut National des Sciences Appliquées (INSA)-Ecole Nationale Supérieure de Chimie de Rennes (ENSCR)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS), National Research Council of Italy | Consiglio Nazionale delle Ricerche (CNR), Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université Paris-Saclay-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université Paris-Saclay-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS), Laboratoire Innovation en Chimie des Surfaces et NanoSciences (LICSEN UMR 3685), and Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université Paris-Saclay-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université Paris-Saclay-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Institut Rayonnement Matière de Saclay (IRAMIS)
Subjects: Fluorophore, Materials science, Nanoparticle, 02 engineering and technology, 010402 general chemistry, Photochemistry, 01 natural sciences, hydroxyoxoposphole, Industrial and Manufacturing Engineering, AIE, chemistry.chemical_compound, X-ray photoelectron spectroscopy, hybrid materials, OLED, General Materials Science, Thin film, [CHIM.ORGA]Chemical Sciences/Organic chemistry, [CHIM.MATE]Chemical Sciences/Material chemistry, 021001 nanoscience & nanotechnology, Fluorescence, 0104 chemical sciences, chemistry, Mechanics of Materials, Intramolecular force, nanoparticles, fluorescence, 0210 nano-technology, Hybrid material
Abstract: International audience; Fluorescent nanohybrids, based on p-extended hydroxyoxophosphole ligands grafted onto ZnO nanoparticles, were designed and studied. The restriction of the intramolecular motions of the organic fluorophore, through either aggregates' formation in solution or processing into thin films, forms highly emissive materials due to a strong Aggregation Induced Emission effect. Theoretical calculations and XPS analyses were performed to analyze the interactions between the organic and inorganic counterparts. Preliminary results on the use of these nanohybrids as solution-processed emissive layers in Organic Light Emitting Diodes (OLEDs) illustrate their potential for lighting applications.
Published: 2021
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30. An off-lattice kinetic Monte Carlo kernel guided by topological and geometrical analysis to bridge accurate ab-initio calculations and large scale simulations

Author: Gunde, Miha, Salles, Nicolas, Richard, Nicolas, Hémeryck, Anne, Martin-Samos, Layla, Équipe Modélisation Multi-niveaux des Matériaux (LAAS-M3), Laboratoire d'analyse et d'architecture des systèmes (LAAS), Université Toulouse Capitole (UT Capitole), Université de Toulouse (UT)-Université de Toulouse (UT)-Institut National des Sciences Appliquées - Toulouse (INSA Toulouse), Institut National des Sciences Appliquées (INSA)-Université de Toulouse (UT)-Institut National des Sciences Appliquées (INSA)-Université Toulouse - Jean Jaurès (UT2J), Université de Toulouse (UT)-Université Toulouse III - Paul Sabatier (UT3), Université de Toulouse (UT)-Centre National de la Recherche Scientifique (CNRS)-Institut National Polytechnique (Toulouse) (Toulouse INP), Université de Toulouse (UT)-Université Toulouse Capitole (UT Capitole), Université de Toulouse (UT), CNR Istituto Officina dei Materiali (IOM), National Research Council of Italy | Consiglio Nazionale delle Ricerche (CNR), CEA DAM ILE-DE-FRANCE - Bruyères-le-Châtel [Arpajon] (CEA DAM IDF), and Hemeryck, Anne
Subjects: [PHYS]Physics [physics], [PHYS] Physics [physics]
Abstract: International audience; The kMC method is traditionally used on-lattice, where a property such as atomic type, is assigned to each point of a fixed lattice. The evolution is then a series of changes on the property of lattice points, called events given by a catalog, that occur with a probability associated with reaction barriers. In the more general case, ie object-kMC1, the concept of event is not restricted to single atom transformations. Due to limitations imposed by the lattice, these approaches often fall short for complex system evolution, such as ion diffusion in amorphous/disordered solids, collective transformations, or events with specific environmental dependency. In2, to accelerate molecular dynamics through OKMC, off-lattice capabilities have been implemented by using on-the-fly search of events, enabled by graph theory and empirical potential. We propose an alternative approach that uses graph theory and geometric shape-matching to build a catalog from ab-initio results, and take into account the symmetries of events which allows their execution in any direction, without need of lattice. Our proposed atom-resolved off-lattice kMC can treat a large variety of systems. Some examples will be shown emphasizing the different capabilities.
Published: 2021

31. Self-Metalation of Porphyrins at the Solid–Gas Interface

Author: Alberto Morgante, Alberto Verdini, Jean-Jacques Gallet, Manuel Corva, Fabrice Bournel, Andrea Goldoni, Erik Vesselli, Francesco Armillotta, Enrico D'Incecco, Matus Stredansky, Università degli studi di Trieste, Laboratoire de Chimie Physique - Matière et Rayonnement (LCPMR), Institut de Chimie du CNRS (INC)-Sorbonne Université (SU)-Centre National de la Recherche Scientifique (CNRS), Elettra Sincrotrone Trieste, CNR Istituto Officina dei Materiali (IOM), Consiglio Nazionale delle Ricerche [Roma] (CNR), Armillotta, F., D'Incecco, E., Corva, M., Stredansky, M., Gallet, J. -J., Bournel, F., Goldoni, A., Morgante, A., Vesselli, E., and Verdini, A.
Subjects: Materials science, Annealing (metallurgy), Metalation, chemistry.chemical_element, 02 engineering and technology, Substrate (electronics), 010402 general chemistry, Photochemistry, porphyrins, 01 natural sciences, Oxygen, Catalysis, Metal, chemistry.chemical_compound, Phase (matter), Atom, [CHIM]Chemical Sciences, self-metalation, sitting-atop complex, near-ambient pressure, General Chemistry, tetrapyrroles, 021001 nanoscience & nanotechnology, Tetrapyrrole, 0104 chemical sciences, chemistry, visual_art, visual_art.visual_art_medium, 0210 nano-technology, porphyrin
Abstract: International audience; Self-metalation is one of the most promising synthesis routes to include a single metal atom in a tetrapyrrolic macrocycle in the case of organic frameworks supported by metal surfaces. The molecule-surface interaction may provide the charge transfer and the geometric distortion of the molecular plane that are necessary for metal inclusion, thus mimicking enzymatic metalation mechanisms of porphyrins in biology. However, while the latter process proceeds at room temperature, at a metal surface, instead, the presence of an activation barrier can represent a technical obstacle that cannot be compensated by a higher substrate temperature without affecting the layer integrity. The formation of the intermediate state, the sitting-atop complex that weakens the two N-H bonds in the tetrapyrrole preceding the metal insertion step, can be facilitated in some cases by oxygen pre-adsorption at the supporting metal surface, like in the case of the 2H-TPP/Pd(100) system. In such cases, the activation barrier can be overcome by mild annealing, yielding the formation of desorbing products (hydrogen, water) and of the metalated tetrapyrrole. We show here that the self-metalation of 2H-TPP molecules at the Pd(100) surface can be promoted already at room temperature by the presence of an oxygen gas phase at close-to-ambient conditions via an Eley-Rideal mechanism, resembling the asymmetric interactions available in enzymatic pockets, thus opening the way to novel routes to metalate organic frameworks at surfaces.
Published: 2021
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32. Stoichiometry and disorder influence over electronic structure in nanostructured VOx films

Author: Mattia Fanetti, Chongwen Zou, Blaž Belec, B. W. Li, Maurizio Sacchi, F. Zuccaro, Alessandro D’Elia, Nicola Zema, Augusto Marcelli, Marcello Coreno, S. J. Rezvani, Carlo Spezzani, Physikalisches Institut [Köln], Universität zu Köln, CNR Istituto Officina dei Materiali (IOM), Consiglio Nazionale delle Ricerche [Roma] (CNR), Laboratori Nazionali di Frascati (LNF), Istituto Nazionale di Fisica Nucleare (INFN), Istituto di Struttura della Materia (CNR-ISM), University of Nova Gorica, National Synchrotron Radiation Laboratory (NSRL), University of Science and Technology of China [Hefei] (USTC), Elettra Sincrotrone Trieste, Croissance et propriétés de systèmes hybrides en couches minces (INSP-E8), Institut des Nanosciences de Paris (INSP), Sorbonne Université (SU)-Centre National de la Recherche Scientifique (CNRS)-Sorbonne Université (SU)-Centre National de la Recherche Scientifique (CNRS), Synchrotron SOLEIL (SSOLEIL), and Centre National de la Recherche Scientifique (CNRS)
Subjects: Materials science, Bioengineering, 02 engineering and technology, Electronic structure, 010402 general chemistry, 01 natural sciences, Tetragonal crystal system, VOx, Distorted ligand environment, Oxidation state, Octahedral molecular geometry, General Materials Science, Spectroscopy, General Chemistry, 021001 nanoscience & nanotechnology, Condensed Matter Physics, Atomic and Molecular Physics, and Optics, XANES, 0104 chemical sciences, Crystallography, Modeling and Simulation, Disordered materials, [PHYS.COND.CM-MS]Physics [physics]/Condensed Matter [cond-mat]/Materials Science [cond-mat.mtrl-sci], Nanostructured vanadium oxides, Absorption (chemistry), 0210 nano-technology, Stoichiometry
Abstract: We present and discuss the role of nanoparticles size and stoichiometry over the local atomic environment of nanostructured VOx films. The samples have been characterized in situ using X-ray absorption near-edge structure (XANES) spectroscopy identifying the stoichiometry-dependent fingerprints of disordered atomic arrangement. In vanadium oxides, the ligand atoms arrange according to a distorted octahedral geometry depending on the oxidation state, e.g. trigonal distortion in V2O3 and tetragonal distortion in bulk VO2. We demonstrate, taking VO2 as a case study, that as a consequence of the nanometric size of the nanoparticles, the original ligands symmetry of the bulk is broken resulting in the coexistence of a continuum of distorted atomic conformations. The resulting modulation of the electronic structure of the nanostructured VOx as a function of the oxygen content reveals a stoichiometry-dependent increase of disorder in the ligands matrix. This work shows the possibility to produce VOx nanostructured films accessing new disordered phases and provides a unique tool to investigate the complex matter.
Published: 2021
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33. Iterative Rotations and Assignments (IRA): A shape matching algorithm for atomic structures

Author: Nicolas Salles, Layla MARTIN-SAMOS, Anne HEMERYCK, Miha Gunde, Équipe Modélisation Multi-niveaux des Matériaux (LAAS-M3), Laboratoire d'analyse et d'architecture des systèmes (LAAS), Université Toulouse Capitole (UT Capitole), Université de Toulouse (UT)-Université de Toulouse (UT)-Institut National des Sciences Appliquées - Toulouse (INSA Toulouse), Institut National des Sciences Appliquées (INSA)-Université de Toulouse (UT)-Institut National des Sciences Appliquées (INSA)-Université Toulouse - Jean Jaurès (UT2J), Université de Toulouse (UT)-Université Toulouse III - Paul Sabatier (UT3), Université de Toulouse (UT)-Centre National de la Recherche Scientifique (CNRS)-Institut National Polytechnique (Toulouse) (Toulouse INP), Université de Toulouse (UT)-Université Toulouse Capitole (UT Capitole), Université de Toulouse (UT), CNR Istituto Officina dei Materiali (IOM), National Research Council of Italy | Consiglio Nazionale delle Ricerche (CNR), European Project: 871813,H2020-EU.2.1.1. - INDUSTRIAL LEADERSHIP - Leadership in enabling and industrial technologies - Information and Communication Technologies (ICT) ,MUNDFAB (2020), and European Project: 899285,MAGNELIQ
Subjects: off-lattice kinetic Monte Carlo Code, [PHYS]Physics [physics], shape matching, pattern recognition, [CHIM]Chemical Sciences, structural superposition, [PHYS.COND]Physics [physics]/Condensed Matter [cond-mat], Astrophysics::Galaxy Astrophysics, linear assignment problem
Abstract: International audience; IRA is a Fortran library that solves the shape matching problem for atomic structures, stored as sets of points representing the atomic positions. In the case of exact-and near-congruence, IRA provides the optimal rigid transformation between the structures, given by the atomic assignments, the rotation/reflection matrix, and the translation vector. IRA is also able to operate on structures containing a non-equal number of atoms, i.e. matching a structure to any of its fragments. Any application that requires the solution of a shape matching problem could benefit from IRA.
Published: 2022
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34. PPEylation of proteins: Synthesis, activity, and stability of myoglobin-polyphosphoester conjugates

Author: Maria Rosaria Tine, Daniela Russo, Celia Duce, Frederik R. Wurm, Chiara Pelosi, Dipartimento di Chimica e Chimica Industriale, Università di Pisa, University of Pisa - Università di Pisa, Max-Planck-Institut für Polymerforschung (MPI-P), Max-Planck-Gesellschaft, Institut Lumière Matière [Villeurbanne] (ILM), Université Claude Bernard Lyon 1 (UCBL), Université de Lyon-Université de Lyon-Centre National de la Recherche Scientifique (CNRS), CNR Istituto Officina dei Materiali (IOM), Consiglio Nazionale delle Ricerche [Roma] (CNR), Institut Laue-Langevin (ILL), and ILL
Subjects: Materials Chemistry2506 Metals and Alloys, Polymers and Plastics, Size-exclusion chromatography, General Physics and Astronomy, 02 engineering and technology, 010402 general chemistry, 01 natural sciences, Physics and Astronomy (all), [SPI]Engineering Sciences [physics], chemistry.chemical_compound, PEG ratio, Polyphosphoesters, Materials Chemistry, [CHIM]Chemical Sciences, n-DSC, n-DSF, [PHYS]Physics [physics], Gel electrophoresis, chemistry.chemical_classification, Protein-polymer conjugates, Organic Chemistry, PEGylation, Polymer, 021001 nanoscience & nanotechnology, Combinatorial chemistry, 0104 chemical sciences, chemistry, Covalent bond, 0210 nano-technology, Ethylene glycol, Conjugate
Abstract: International audience; Protein-polymer conjugates are used to treat several diseases. PEGylation, i.e. the modification with poly(ethylene glycol) (PEG) is the currently used strategy. However, due to its non-biodegradability, the design of effective and degradable conjugates is of both academic and industry potential. We present the preparation and studies of the activity and stability of novel biodegradable myoglobin-polyphosphoester conjugates. Poly(ethyl ethylene phosphate) (PEEP) is a water-soluble polyphosphoester, which had been reported to be biocompatible and biodegradable. PEEP is a promising candidate as a degradable substitute for the “gold standard” PEG, which can cause long-term effects, as it is not degradable. PEEPylated conjugates with a variable degree of polymer grafting were synthesized, characterized (with online triple detection size exclusion chromatography, mass spectrometry, and gel electrophoresis), and compared with PEGylated analogs. We highlight differences in how the structure, the number, and the length of the polymer influence the properties of the conjugates. Overall, the analyses conducted (including activity assay, calorimetry, and fluorimetry measurements) show that the covalent attachment of the polymer does not irrevocably affect the protein’s features under physiological conditions, suggesting the potential of this new class of polymers for the design of a new generation of fully degradable conjugates.
Published: 2018
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35. Damping Off Terahertz Sound Modes of a Liquid upon Immersion of Nanoparticles

Author: Alessandro Cunsolo, Luisa Scaccia, Ferdinando Formisano, Ayman Said, Alessio De Francesco, Yong Q. Cai, Bogdan M. Leu, Oleg Gang, Dmytro Nykypanchuk, Marco Maccarini, Yugang Zhang, Ahmet Alatas, CNR Istituto Officina dei Materiali (IOM), Consiglio Nazionale delle Ricerche [Roma] (CNR), Università degli Studi di Macerata = University of Macerata (UNIMC), Systèmes Nanobiotechnologiques et Biomimétiques (TIMC-IMAG-SyNaBi), Techniques de l'Ingénierie Médicale et de la Complexité - Informatique, Mathématiques et Applications, Grenoble - UMR 5525 (TIMC-IMAG), Institut polytechnique de Grenoble - Grenoble Institute of Technology (Grenoble INP )-VetAgro Sup - Institut national d'enseignement supérieur et de recherche en alimentation, santé animale, sciences agronomiques et de l'environnement (VAS)-Centre National de la Recherche Scientifique (CNRS)-Université Grenoble Alpes [2016-2019] (UGA [2016-2019])-Institut polytechnique de Grenoble - Grenoble Institute of Technology (Grenoble INP )-VetAgro Sup - Institut national d'enseignement supérieur et de recherche en alimentation, santé animale, sciences agronomiques et de l'environnement (VAS)-Centre National de la Recherche Scientifique (CNRS)-Université Grenoble Alpes [2016-2019] (UGA [2016-2019]), European Synchrotron Radiation Facility (ESRF), Brookhaven National Laboratory [Upton, NY] (BNL), U.S. Department of Energy [Washington] (DOE)-UT-Battelle, LLC-Stony Brook University [SUNY] (SBU), and State University of New York (SUNY)-State University of New York (SUNY)
Subjects: Work (thermodynamics), Materials science, Phonon, Terahertz radiation, water, Bayesian analysis, General Physics and Astronomy, Nanoparticle, 02 engineering and technology, 01 natural sciences, Spectral line, Physics and Astronomy (all), Engineering (all), 0103 physical sciences, General Materials Science, [PHYS.COND]Physics [physics]/Condensed Matter [cond-mat], 010306 general physics, Suspension (vehicle), ComputingMilieux_MISCELLANEOUS, colloidal system, Range (particle radiation), business.industry, Scattering, inelastic X-ray scattering, General Engineering, colloidal systems, phonon propagation, 021001 nanoscience & nanotechnology, nanoparticles, Materials Science (all), Optoelectronics, 0210 nano-technology, business
Abstract: The control of phonon propagation in nanoparticle arrays is one of the new frontiers of nanotechnology, potentially enabling the discovery of materials with unknown functionalities for potential innovative applications. The exploration of the terahertz window appears quite promising as phonons in this range are the leading carriers of heat transport in insulators and their control is the key to implement devices for heat flow management. Unfortunately, this scientific field is still in its infancy and even a basic topic such as the influence of floating nanoparticles on the terahertz phonon propagation of a colloidal suspension still eludes a firm answer. Shedding some light on this topic is the main motivation of the present work, which focuses an Inelastic X-Ray Scattering (IXS) measurements on a dilute suspension of Au nano-spheres in water. Measured spectra showed a non-trivial and unexpected shape displaying multiple inelastic features that, based on a Bayesian inference analysis, we assign to phonon modes propagating throughout the nanoparticle interior. Surprisingly, the spectra bear no evidence of propagating modes, which are known to dominate the spectrum of pure water, owing to the scattering that these modes suffer from the sparse nanoparticles in suspension. In perspective, this finding may inspire simple routes to manipulate high-frequency acoustic propagation in hybrid - liquid and solid- materials.
Published: 2018
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36. Integration of epitaxial La2/3Sr1/3MnO3 thin films on silicon-on-sapphire substrate for MEMS applications

Author: Sandeep Kumar Chaluvadi, Zhe Wang, Laryssa M. Carvalho de Araújo, Pasquale Orgiani, Vincent Polewczyk, Giovanni Vinai, Olivier Rousseau, Victor Pierron, Alain Pautrat, Bernadette Domengès, Darrell G. Schlom, Laurence Méchin, Equipe Electronique - Laboratoire GREYC - UMR6072, Groupe de Recherche en Informatique, Image et Instrumentation de Caen (GREYC), Université de Caen Normandie (UNICAEN), Normandie Université (NU)-Normandie Université (NU)-École Nationale Supérieure d'Ingénieurs de Caen (ENSICAEN), Normandie Université (NU)-Centre National de la Recherche Scientifique (CNRS)-Université de Caen Normandie (UNICAEN), Normandie Université (NU)-Centre National de la Recherche Scientifique (CNRS), Cornell University [New York], CNR Istituto Officina dei Materiali (IOM), National Research Council of Italy | Consiglio Nazionale delle Ricerche (CNR), Laboratoire de cristallographie et sciences des matériaux (CRISMAT), Normandie Université (NU)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Institut de Recherche sur les Matériaux Avancés (IRMA), Normandie Université (NU)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université de Rouen Normandie (UNIROUEN), Normandie Université (NU)-Institut national des sciences appliquées Rouen Normandie (INSA Rouen Normandie), Institut National des Sciences Appliquées (INSA)-Normandie Université (NU)-Institut National des Sciences Appliquées (INSA)-Centre National de la Recherche Scientifique (CNRS)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université de Rouen Normandie (UNIROUEN), and Institut National des Sciences Appliquées (INSA)-Normandie Université (NU)-Institut National des Sciences Appliquées (INSA)-Centre National de la Recherche Scientifique (CNRS)
Subjects: silicon micromachining, suspended bridge, LSMO, General Physics and Astronomy, Surfaces and Interfaces, General Chemistry, manganites, silicon-on-sapphire, Condensed Matter Physics, [SPI.MAT]Engineering Sciences [physics]/Materials, Surfaces, Coatings and Films, MEMS, [SPI.NANO]Engineering Sciences [physics]/Micro and nanotechnologies/Microelectronics, pulsed laser deposition
Abstract: International audience; We report the integration of high-quality epitaxial La 2/3 Sr 1/3 MnO 3 (LSMO) thin films onto SrTiO 3 buffered Silicon-on-Sapphire (SOS) substrates by combining state-of-the-art thin film growth techniques such as molecular beam epitaxy and pulsed laser deposition. Detailed structural, magnetic and electrical characterizations of the LSMO/STO/SOS heterostructures show that the LSMO film properties are competitive with those directly grown on oxide substrates. X-ray magnetic circular dichroism measurements on Mn L 2,3 edges show strong dichroic signal at room temperature, and angular-dependent in-plane magnetic properties by magneto-optical Kerr magnetometry reveal isotropic magnetic anisotropy. Suspended micro-bridges were thus finally fabricated by silicon micromachining, thus demonstrating the potential use of integrating LSMO magnetic layer on industrially compatible SOS substrates for the development of applicative MEMS devices.
Published: 2022
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37. Protected surface state in stepped Fe (0 18 1)

Author: Jun Fujii, Piero Torelli, Fausto Sirotti, Giancarlo Panaccione, Manuel Izquierdo, Giorgio Rossi, Ivana Vobornik, CNR Istituto Officina dei Materiali (IOM), Consiglio Nazionale delle Ricerche [Roma] (CNR), Istituto Officina dei Materiali-CNR (IOM), Laboratory TASC, INFM-CNR, Synchrotron SOLEIL (SSOLEIL), and Centre National de la Recherche Scientifique (CNRS)
Subjects: Materials science, Science, Synchrotron radiation, Angle-resolved photoemission spectroscopy, 02 engineering and technology, Electronic structure, engineering.material, 01 natural sciences, Molecular physics, Article, Overlayer, Electronic states, Coating, 0103 physical sciences, 010306 general physics, ComputingMilieux_MISCELLANEOUS, Multidisciplinary, Spintronics, 021001 nanoscience & nanotechnology, [PHYS.COND.CM-MS]Physics [physics]/Condensed Matter [cond-mat]/Materials Science [cond-mat.mtrl-sci], engineering, Medicine, 0210 nano-technology, Vicinal
Abstract: Carbon (C) surface segregation from bulk stabilizes the Fe(0 18 1) vicinal surface by forming a c(3$$\sqrt{2}$$ 2 × $$\sqrt{2}$$ 2 reconstruction with C zig-zag chains oriented at 45° with respect to the iron surface steps. The iron surface electronic states as measured by high resolution ARPES at normal emission with polarized synchrotron radiation split in two peaks that follow distinct energy dispersion curves. One peak follows the dispersion of the carbon superstructure and is photoexcited only when the polarization vector is parallel to the steps, the second peak disperses similarly to the pristine Fe(0 0 1) surface. Such surface electronic structure is robust as it persists even after coating with an Ag overlayer. The robustness of this surface electronic structure and its similarity with that of the clean Fe(0 0 1) surface make this system of interest for magnetic and spintronic properties such as magneto tunnel junctions based on Fe/MgO interface.
Published: 2017
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38. Possible Mechanism for Hole Conductivity in Cu–As–Te Thermoelectric Glasses: A XANES and EXAFS Study

Author: Carmelo Prestipino, A. Trapananti, Catherine Boussard-Plédel, Sergio Di Matteo, Bruno Bureau, Shuo Cui, Soraya Ababou-Girard, Bhuvanesh Srinivasan, Alain Gellé, Institut des Sciences Chimiques de Rennes (ISCR), Université de Rennes (UR)-Institut National des Sciences Appliquées - Rennes (INSA Rennes), Institut National des Sciences Appliquées (INSA)-Institut National des Sciences Appliquées (INSA)-Ecole Nationale Supérieure de Chimie de Rennes (ENSCR)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS), Institut de Physique de Rennes (IPR), Université de Rennes (UR)-Centre National de la Recherche Scientifique (CNRS), Laboratoire Verres et Céramiques, CNR Istituto Officina dei Materiali (IOM), National Research Council of Italy | Consiglio Nazionale delle Ricerche (CNR), Università degli Studi di Perugia = University of Perugia (UNIPG), European Commission's Horizon research and innovation programs under Marie Sklodowska-Curie ITN actions CoACH [642557], European Commission's Horizon research and innovation programs under Marie Sklodowska-Curie ITN actions GlaCERCo [264526], Université de Rennes 1 (UR1), Université de Rennes (UNIV-RENNES)-Université de Rennes (UNIV-RENNES)-Institut National des Sciences Appliquées - Rennes (INSA Rennes), Institut National des Sciences Appliquées (INSA)-Université de Rennes (UNIV-RENNES)-Institut National des Sciences Appliquées (INSA)-Ecole Nationale Supérieure de Chimie de Rennes (ENSCR)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS), Université de Rennes (UNIV-RENNES)-Université de Rennes (UNIV-RENNES)-Centre National de la Recherche Scientifique (CNRS), Consiglio Nazionale delle Ricerche [Roma] (CNR), and Università degli Studi di Perugia (UNIPG)
Subjects: Materials science, Absorption spectroscopy, 02 engineering and technology, Conductivity, 010402 general chemistry, 7. Clean energy, 01 natural sciences, Condensed Matter::Materials Science, Electrical resistivity and conductivity, Thermoelectric effect, Physical and Theoretical Chemistry, Lone pair, Valence (chemistry), Quantitative Biology::Neurons and Cognition, Extended X-ray absorption fine structure, Condensed matter physics, [CHIM.MATE]Chemical Sciences/Material chemistry, 021001 nanoscience & nanotechnology, XANES, 0104 chemical sciences, Surfaces, Coatings and Films, Electronic, Optical and Magnetic Materials, Crystallography, General Energy, [PHYS.COND.CM-MS]Physics [physics]/Condensed Matter [cond-mat]/Materials Science [cond-mat.mtrl-sci], 0210 nano-technology
Abstract: International audience; Recently synthesized thermoelectric Cu-As-Te glasses have been analyzed by X-ray Absorption Spectroscopy, both near-edge (XANES) and in the extended region (EXAFS), in order to shed light on the mechanism at the basis of the huge increase of conductivity, up to five orders of magnitude, that was found with Cu doping. Experimental data have been modeled by means of multiple-scattering calculations. Our model suggests that the experimental results can be interpreted in terms of a small charge-transfer from Te to Cu, leading to an unexpected positive valence for Te. Interestingly, on the basis of these findings, a global picture explaining the enhancement of electrical conductivity with Cu doping can be proposed: electrical conductivity is determined by the holes created in non-bonding Te 5p orbitals (lone pair) by Cu 2 acceptors. The critical parameter to increase electrical conductivity is the number of CuTe bonds that are formed and not simply the number of Cu atoms.
Published: 2017
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39. Thiolate-Capped Silver Nanoparticles: Discerning Direct Grafting from Sulfidation at the Metal–Ligand Interface by Interrogating the Sulfur Atom

Author: Isabelle Michaud-Soret, Marianne Marchioni, Aurélien Deniaud, Chiara Battocchio, Giulia Veronesi, Yves Joly, Silvia Nappini, Pascale Delangle, Christelle Gateau, Igor Píš, Biologie des Métaux (BioMet ), Laboratoire de Chimie et Biologie des Métaux (LCBM - UMR 5249), Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Institut de Recherche Interdisciplinaire de Grenoble (IRIG), Direction de Recherche Fondamentale (CEA) (DRF (CEA)), Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Direction de Recherche Fondamentale (CEA) (DRF (CEA)), Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université Grenoble Alpes (UGA)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Institut de Recherche Interdisciplinaire de Grenoble (IRIG), Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université Grenoble Alpes (UGA), Università degli Studi Roma Tre = Roma Tre University (ROMA TRE), Surfaces, Interfaces et Nanostructures (NEEL - SIN), Institut Néel (NEEL), Centre National de la Recherche Scientifique (CNRS)-Université Grenoble Alpes (UGA)-Institut polytechnique de Grenoble - Grenoble Institute of Technology (Grenoble INP ), Université Grenoble Alpes (UGA)-Centre National de la Recherche Scientifique (CNRS)-Université Grenoble Alpes (UGA)-Institut polytechnique de Grenoble - Grenoble Institute of Technology (Grenoble INP ), Université Grenoble Alpes (UGA), Chimie Interface Biologie pour l’Environnement, la Santé et la Toxicologie (CIBEST ), SYstèmes Moléculaires et nanoMatériaux pour l’Energie et la Santé (SYMMES), Département Interfaces pour l'énergie, la Santé et l'Environnement (DIESE), Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA), CNR Istituto Officina dei Materiali (IOM), National Research Council of Italy | Consiglio Nazionale delle Ricerche (CNR), Elettra Sincrotrone Trieste, Groupe modélisation et chimie théorique (MCT ), European Synchrotron Radiation Facility (ESRF), ANR-17-EURE-0003,CBH-EUR-GS,CBH-EUR-GS(2017), Roma Tre University, Surfaces, Interfaces et Nanostructures (SIN), Consiglio Nazionale delle Ricerche [Roma] (CNR), Marchioni, Marianne, Battocchio, Chiara, Joly, Yve, Gateau, Christelle, Nappini, Silvia, Pis, Igor, Delangle, Pascale, Michaud-Soret, Isabelle, Deniaud, Aurélien, and Veronesi, Giulia
Subjects: ADSORPTION, Materials science, ANTIBACTERIAL ACTIVITY, Sulfidation, chemistry.chemical_element, 02 engineering and technology, BINDING, DISSOLUTION, 010402 general chemistry, Photochemistry, 01 natural sciences, Silver nanoparticle, Metal, SURFACE-CHEMISTRY, SELF-ASSEMBLED MONOLAYERS, Molecule, Physical and Theoretical Chemistry, Ligand, [CHIM.MATE]Chemical Sciences/Material chemistry, 021001 nanoscience & nanotechnology, Grafting, Sulfur, 0104 chemical sciences, Surfaces, Coatings and Films, Electronic, Optical and Magnetic Materials, General Energy, chemistry, BEAMLINE, visual_art, GOLD NANOPARTICLES, X-RAY, CYSTEINE, visual_art.visual_art_medium, 0210 nano-technology, Layer (electronics)
Abstract: International audience; Grafting thiol-bearing molecules at the surface of silver nano-particles (AgNPs) is a successful strategy to tune their optical and antibacterial properties. The capping layer generated from self-assembly of the ligands at the nanoparticle surface determines the range of possible applications of the resulting material. In particular, direct grafting of the thiol heads to surface Ag(I) can occur, with various hybridizations of the S atom, sp versus sp 3. Alternatively, a passivating Ag 2 S layer can form. We make use of S K-edge X-ray absorption near edge structure (XANES) and synchrotron-based X-ray photoelectron spectroscopy (XPS) to probe the metal−ligand interface in different thiol-capped AgNPs. The use of cryogenic conditions for XAS analyses reveals a peculiar spectral signature for thiolates chemisorbed on the AgNPs surface, unambiguously distinguished from that of Ag 2 S. Ab initio simulations of XANES spectra and XPS analyses are used to predict the grafting mode, suggesting that different ligand architectures promote slightly different proportions of sp/sp 3 sites, and a dramatic variability in the stability of the nanomaterial that can evolve toward either self-assembly or dissolution of the AgNPs.
Published: 2020
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40. Stripe domains reorientation in ferromagnetic films with perpendicular magnetic anisotropy

Author: Louis-Charles Garnier, Maria Gloria Pini, Mahmoud Eddrief, Angelo Rettori, Silvia Tacchi, Diego Bisero, Francesca Casoli, Massimiliano Marangolo, Samuele Fin, Laboratoire d'Ingénierie des Systèmes de Versailles (LISV), Université de Versailles Saint-Quentin-en-Yvelines (UVSQ), Croissance et propriétés de systèmes hybrides en couches minces (INSP-E8), Institut des Nanosciences de Paris (INSP), Sorbonne Université (SU)-Centre National de la Recherche Scientifique (CNRS)-Sorbonne Université (SU)-Centre National de la Recherche Scientifique (CNRS), Dipartimento di Fisica e Scienze della Terra [Ferrara], Università degli Studi di Ferrara (UniFE), Consorzio Nazionale Interuniversitario per le Scienze FIsiche della Materia (CNISM), Istituto dei Materiali per l'Elettronica ed il Magnetismo [Genova] (IMEM-CNR), Consiglio Nazionale delle Ricerche (CNR), Istituto Sistemi Complessi [ROME] (ISC), Consiglio Nazionale delle Ricerche [Roma] (CNR), Dipartimento di Fisica ed Astronomia, Università degli Studi di Firenze = University of Florence [Firenze] (UNIFI), Università degli Studi di Perugia (UNIPG), and CNR Istituto Officina dei Materiali (IOM)
Subjects: Materials science, Magnetic domain, Film plane, 02 engineering and technology, magnetic domains, 01 natural sciences, NO, magnetic films, magnetic anisotropy, magnetic domains, Magnetization, Condensed Matter::Materials Science, Condensed Matter::Superconductivity, 0103 physical sciences, General Materials Science, 010306 general physics, magnetic anisotropy, Magnetic energy, Condensed matter physics, 021001 nanoscience & nanotechnology, Condensed Matter Physics, Atomic and Molecular Physics, and Optics, Magnetic anisotropy, magnetic films, Ferromagnetism, Remanence, [PHYS.COND.CM-MS]Physics [physics]/Condensed Matter [cond-mat]/Materials Science [cond-mat.mtrl-sci], Condensed Matter::Strongly Correlated Electrons, Magnetic force microscope, 0210 nano-technology
Abstract: Ferromagnetic thin films with moderate perpendicular magnetic anisotropy (PMA) are known to support weak stripe domains provided film thickness exceeds a critical value. In this work, we performed both an experimental and theoretical investigation of a peculiar phenomenon shown by weak stripe domains: namely, the stripe domains reorientation when a dc magnetic field is applied in the film plane along the direction perpendicular to the stripes axis. We focus on bct α′-Fe8N1−x thin films obtained by N 2 + implantation of α-Fe films epitaxially grown on ZnSe/GaAs(001). By using different ion implantation and heat treatment conditions, we show that it is possible to tune the PMA values. Magnetic force microscopy and vibrating sample magnetometer measurements prove the existence of weak stripe domains at remanence, and of a threshold field for the reorientation of the stripes axis in a transversal field. Using a one-dimensional model of the magnetic stripe domains, where the essential parameter is the maximum canting angle of the stripe magnetization out of the film plane, the various contributions to the magnetic energy can be separately calculated. A linear increase of the reorientation threshold field on the PMA is obtained, in qualitative agreement with experimental data in our Fe–N films, as well as in other thin films with weak stripe domains. Finally, we find that also the rotatable anisotropy field linearly increases as a function of the PMA magnitude.
Published: 2020
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41. Epitaxial strain and thickness dependent structural, electrical and magnetic properties of La0.67Sr0.33MnO3films

Author: Julio Camarero, Fernando Ajejas, Paolo Perna, Stéphane Flament, Sandeep-Kumar Chaluvadi, Laurence Méchin, S Lebargy, Pasquale Orgiani, Albert Minj, Equipe Electronique - Laboratoire GREYC - UMR6072, Groupe de Recherche en Informatique, Image et Instrumentation de Caen (GREYC), Centre National de la Recherche Scientifique (CNRS)-École Nationale Supérieure d'Ingénieurs de Caen (ENSICAEN), Normandie Université (NU)-Normandie Université (NU)-Université de Caen Normandie (UNICAEN), Normandie Université (NU)-Centre National de la Recherche Scientifique (CNRS)-École Nationale Supérieure d'Ingénieurs de Caen (ENSICAEN), Normandie Université (NU), Universidad Autonoma de Madrid (UAM), CNR Istituto Officina dei Materiali (IOM), Consiglio Nazionale delle Ricerche [Roma] (CNR), Departamento de Fisica de la Materia Condensada [Madrid] (FMC), Facultad de Ciencas [Madrid], Universidad Autonoma de Madrid (UAM)-Universidad Autonoma de Madrid (UAM), Instituto IMDEA Nanociencia [Madrid], Instituto Imdea Nanociencia, and UAM. Departamento de Física de la Materia Condensada
Subjects: Materials science, Acoustics and Ultrasonics, 02 engineering and technology, Substrate (electronics), manganites, Epitaxy, 01 natural sciences, Pulsed laser deposition, Crystal, Pulsed Laser Deposition, strain, Manganites, 0103 physical sciences, Epitaxial Strain, Thin film, 010306 general physics, pulsed laser deposition, Thin Films, spintronics, magnetic anisotropy, Spintronics, Condensed matter physics, Física, 021001 nanoscience & nanotechnology, Condensed Matter Physics, Surfaces, Coatings and Films, Electronic, Optical and Magnetic Materials, Magnetic Anisotropy, [SPI.TRON]Engineering Sciences [physics]/Electronics, Magnetic anisotropy, epitaxial strain, thin films, [PHYS.COND.CM-MS]Physics [physics]/Condensed Matter [cond-mat]/Materials Science [cond-mat.mtrl-sci], 0210 nano-technology, Single crystal
Abstract: International audience; The crystal structural quality and the strain induced by the substrate strictly impose the magnetic and transport properties of La0.67Sr0.33MnO3 (LSMO) films. In particular, the magnetic anisotropy (MA) of epitaxial LSMO can be finely tuned by varying its thickness and by choosing single crystal substrates with suitable lattice mismatch with the film. Here, we have deposited LSMO films with thicknesses in the 12-50 nm range by pulsed laser deposition on different single crystal substrates inducing either compressive or tensile in-plane strain on the manganites. The epitaxial quality of films was quantified by ω-scans around (002) peak with full-width half-maximum (FWHM) values as low as 0.08° for films on the nearly matched NGO (110) substrate to 1.4° films on high mismatched MgO (001) substrate. As the epitaxial strain in thin-film increases, a significant reduction in metal-insulation transition (MIT) temperature (Tp) was observed. The magnetic properties of the films probed by Kerr magnetometry show that the symmetry of the room temperature MA varies significantly as a function of both strain and thickness. Specifically, we observed pure uniaxial MA on NGO (110) and pure biaxial MA on STO buffered MgO (001), whereas a spin reorientation from uniaxial in-plane to out-of-plane on LSAT (001) and uniaxial to nearly isotropic in-plane on STO (001) substrate as the film thickness is increased. We provide an efficient tool to tune the MA according to the specific spintronic application targeted.
Published: 2020
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42. Bi ultra-thin crystalline films on InAs(1 1 1) A and B substrates: a combined core-level and valence-band angle-resolved and dichroic photoemission study

Author: J-M Mariot, Thiagarajan Balasubramanian, Janusz Kanski, Uros Djukic, M. Leandersson, O. Heckmann, Juergen Braun, Jun Fujii, Ivana Vobornik, Hubert Ebert, Maria Christine Richter, Karol Hricovini, Jan Minár, Laurent Nicolaï, Janusz Sadowski, Weimin Wang, New Technologies Research Centre [Plzeň] (NTC), University of West Bohemia [Plzeň ], Laboratoire de Chimie Physique - Matière et Rayonnement (LCPMR), Institut de Chimie du CNRS (INC)-Sorbonne Université (SU)-Centre National de la Recherche Scientifique (CNRS), Synchrotron SOLEIL (SSOLEIL), Centre National de la Recherche Scientifique (CNRS), Laboratoire de Physique des Matériaux et des Surfaces (LPMS), Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-CY Cergy Paris Université (CY), MAX IV Lab, Fotongatan 2, S-22594 Lund, Sweden, Laboratoire Interactions, Dynamiques et Lasers (ex SPAM) (LIDyl), Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université Paris-Saclay-Centre National de la Recherche Scientifique (CNRS), Dynamique et Interactions en phase Condensée (DICO), Institut Rayonnement Matière de Saclay (IRAMIS), Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université Paris-Saclay-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université Paris-Saclay-Laboratoire Interactions, Dynamiques et Lasers (ex SPAM) (LIDyl), Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université Paris-Saclay-Centre National de la Recherche Scientifique (CNRS)-Centre National de la Recherche Scientifique (CNRS), Chalmers University of Technology [Gothenburg, Sweden], Department of Physics and Electrical Engineering, Linnaeus University, SE-391 82, Kalmar, Institute of Physics, Polish Academy of Sciences, Polska Akademia Nauk = Polish Academy of Sciences (PAN), Faculty of Physics, Warsaw University of Technology, Warsaw University of Technology [Warsaw], Department Chemie der Ludwigs-Maximilians-Universität, 81377 München, Germany, CNR Istituto Officina dei Materiali (IOM), National Research Council of Italy | Consiglio Nazionale delle Ricerche (CNR), Elettra Sincrotrone, CNR-IMIP & INFM-TASC, Deutsche Forschungsgemeinschaft SPP1666 priority program (Grants No. EB144/26 and EB154/32), Computational and Experimental Design of Advanced Materials with New Functionalities (CZ.02.1.01/0.0/0.0/15_003/0000358), Institute of Physics Publishing Ltd, ANR-11-EQPX-0034,PATRIMEX,PATrimoines matériels : Réseau d'Instrumentation Multisites Expérimental(2011), and European Project: 312284,EC:FP7:INFRA,FP7-INFRASTRUCTURES-2012-1,CALIPSO(2012)
Subjects: ultra-thin films, growth, electronic structure calculations, General Physics and Astronomy, Synchrotron radiation, bismuth indium arsenide growth ultra-thin films angle-resolved photoemission electronic structure calculations circular dichroism, Electronic structure, Epitaxy, Dichroic glass, indium arsenide, 01 natural sciences, Molecular physics, angle-resolved photoemission, 010305 fluids & plasmas, symbols.namesake, X-ray photoelectron spectroscopy, 0103 physical sciences, bismuth, [CHIM]Chemical Sciences, 010306 general physics, Physics, [PHYS]Physics [physics], Fermi level, circular dichroism, Brillouin zone, Electron diffraction, symbols
Abstract: The growth of Bi on both the In-terminated (A) face and the As-terminated (B) face of InAs(1 1 1) has been investigated by low-energy electron diffraction, scanning tunnelling microscopy, and photoelectron spectroscopy using synchrotron radiation. The changes upon Bi deposition of the In 4d and Bi 5d 5/2 photoelectron signals allow to get a comprehensive picture of the Bi/InAs(1 1 1) interface. From the early stage the Bi growth on the A face is epitaxial, contrary to that on the B face that proceeds via the formation of islands. Angle-resolved photoelectron spectra show that the electronic structure of a Bi deposit of ≈10 bi-layers on the A face is identical to that of bulk Bi, while more than ≈30 bi-layers are needed for the B face. Both bulk and surface electronic states observed are well accounted for by fully relativistic ab initio calculations performed using the one-step model of photoemission. These calculations are used to analyse the dichroic photoemission data recorded in the vicinity of the Fermi level around the Γ ¯ point of the Brillouin zone.
Published: 2019
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43. Characterization of Sc/Mg multilayers with and without Co barriers layers for x-ray spectroscopy in the water window range

Author: Zhanshan Wang, Imène Esteve, Zhe Zhang, Qiushi Huang, Meiyi Wu, Nicolas Menguy, Karine Le Guen, Beatrice Doisneau, Angelo Giglia, Konstantin Koshmak, Philippe Jonnard, Laboratoire de Chimie Physique - Matière et Rayonnement (LCPMR), Institut de Chimie du CNRS (INC)-Sorbonne Université (SU)-Centre National de la Recherche Scientifique (CNRS), IOM - CNR Istituto Officina dei Materiali, CNR Istituto Officina dei Materiali (IOM), National Research Council of Italy | Consiglio Nazionale delle Ricerche (CNR), Tongji University, Institut de minéralogie, de physique des matériaux et de cosmochimie (IMPMC), Muséum national d'Histoire naturelle (MNHN)-Institut de recherche pour le développement [IRD] : UR206-Sorbonne Université (SU)-Centre National de la Recherche Scientifique (CNRS), Muséum national d'Histoire naturelle (MNHN), and Consiglio Nazionale delle Ricerche [Roma] (CNR)
Subjects: Materials science, Mg, Analytical chemistry, General Physics and Astronomy, chemistry.chemical_element, 02 engineering and technology, 01 natural sciences, Co, 0103 physical sciences, Spectroscopy, periodic multilayer, Nanoscopic scale, 010302 applied physics, [PHYS]Physics [physics], X-ray spectroscopy, Water window, Sputter deposition, 021001 nanoscience & nanotechnology, Nitrogen, chemistry, Transmission electron microscopy, interface, Nanometre, 0210 nano-technology, Sc
Abstract: International audience; We characterize nano-scale periodic Sc/Mg two-layer, Sc/Mg/Co tri-layers and Sc/Co/Mg/Co quadri-layer designed as dispersive elements for x-ray spectroscopy in the nitrogen K range (390 eV). The samples are prepared by magnetron sputtering with Mg and Sc layers being a few nanometers thick and Co layers being of sub-nanometric thickness. We apply non-destructive (x-ray reflectivity and x-ray fluorescence in standing wave mode) and destructive (transmission electron microscopy) techniques to obtain a relevant description of the deposited stacks. It turns out that a strong interdiffusion takes place in the two-layer leading to poor reflective properties. Interdiffusion also occurs in the tri-layers and quadri-layer but between the Sc and Co layers. These systems can be considered as periodic ScCo/Mg two-layers with well-defined layers. As a consequence, the Sc/Co/Mg/Co multilayer is found interesting to use for spectroscopy as a reflectance of 32% is expected in the N K range in the water window range.
Published: 2019
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44. The complex of ferric-enterobactin with its transporter from Pseudomonas aeruginosa suggests a two-site model

Author: Lucile Moynié, Rory P. McCaughan, Matteo Ceccarelli, Gaëtan L. A. Mislin, Etienne Baco, Isabelle J. Schalk, James H. Naismith, Stefan Milenkovic, Giuliano Malloci, Véronique Gasser, Malcolm G. P. Page, Institut de biochimie et génétique cellulaires (IBGC), Université Bordeaux Segalen - Bordeaux 2-Centre National de la Recherche Scientifique (CNRS), Universita degli Studi di Cagliari [Cagliari], Biotechnologie et signalisation cellulaire (BSC), Université de Strasbourg (UNISTRA)-Centre National de la Recherche Scientifique (CNRS)-Institut de recherche de l'Ecole de biotechnologie de Strasbourg (IREBS), University of St Andrews [Scotland], Jacobs University [Bremen], CNR Istituto Officina dei Materiali (IOM), Consiglio Nazionale delle Ricerche [Roma] (CNR), The Wellcome Trust, University of St Andrews. Biomedical Sciences Research Complex, and University of St Andrews. School of Chemistry
Subjects: 0301 basic medicine, Siderophore, General Physics and Astronomy, Siderophores, 02 engineering and technology, medicine.disease_cause, Crystallography, X-Ray, Biochemistry, chemistry.chemical_compound, polycyclic compounds, lcsh:Science, Bacterial structural biology, Iron Radioisotopes, Multidisciplinary, biology, Chemistry, Pseudomonas, QR Microbiology, 021001 nanoscience & nanotechnology, Sciences du Vivant [q-bio]/Microbiologie et Parasitologie, [SDV.BBM.BS]Life Sciences [q-bio]/Biochemistry, Molecular Biology/Biomolecules [q-bio.BM], Pseudomonas aeruginosa, 0210 nano-technology, Crystallization, Bacterial Outer Membrane Proteins, Science, Iron, Receptors, Cell Surface, In Vitro Techniques, General Biochemistry, Genetics and Molecular Biology, Article, Enterobactin, 03 medical and health sciences, Bacterial Proteins, medicine, Escherichia coli, Binding site, X-ray crystallography, Binding Sites, Membrane Proteins, DAS, Transporter, General Chemistry, Periplasmic space, biology.organism_classification, [SDV.MP.BAC]Life Sciences [q-bio]/Microbiology and Parasitology/Bacteriology, QR, 030104 developmental biology, lcsh:Q, Carrier Proteins, Bacteria
Abstract: Bacteria use small molecules called siderophores to scavenge iron. Siderophore-Fe3+ complexes are recognised by outer-membrane transporters and imported into the periplasm in a process dependent on the inner-membrane protein TonB. The siderophore enterobactin is secreted by members of the family Enterobacteriaceae, but many other bacteria including Pseudomonas species can use it. Here, we show that the Pseudomonas transporter PfeA recognises enterobactin using extracellular loops distant from the pore. The relevance of this site is supported by in vivo and in vitro analyses. We suggest there is a second binding site deeper inside the structure and propose that correlated changes in hydrogen bonds link binding-induced structural re-arrangements to the structural adjustment of the periplasmic TonB-binding motif., Bacteria produce small iron-binding molecules called siderophores, which are recognised by outer-membrane transporters. Here, the authors show that a Pseudomonas transporter recognises the siderophore enterobactin using extracellular loops distant from the pore, and propose that there is a second binding site deeper inside the structure.
Published: 2019
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45. Raman and Infrared spectroscopies and X-ray diffraction data on bupivacaine and ropivacaine complexed with 2-hydroxypropyl-β-cyclodextrin

Author: Éverton Carvalho dos Santos, Michael Marek Koza, Rosanna Ignazzi, Marie-Claire Bellissent-Funel, Heloisa N. Bordallo, Francesca Natali, Murillo L. Martins, Daniele Ribeiro de Araujo, Eneida de Paula, Jürgen Eckert, Henrik Jacobsen, Aleksander Matic, Niels Bohr Institute [Copenhagen] (NBI), Faculty of Science [Copenhagen], University of Copenhagen = Københavns Universitet (KU)-University of Copenhagen = Københavns Universitet (KU), University of South Africa (UNISA), Los Alamos National Laboratory (LANL), Department of Physics [Trondheim] (Physics NTNU), Norwegian University of Science and Technology [Trondheim] (NTNU), Norwegian University of Science and Technology (NTNU)-Norwegian University of Science and Technology (NTNU), Universidade Federal do ABC (UFABC), Laboratoire Léon Brillouin (LLB - UMR 12), Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Centre National de la Recherche Scientifique (CNRS)-Université Paris-Saclay, CNR Istituto Officina dei Materiali (IOM), Consiglio Nazionale delle Ricerche [Roma] (CNR), Institut Laue-Langevin (ILL), ILL, Department of Applied Physics, Chalmers University of Technology, University of Campinas [Campinas] (UNICAMP), European Spallation Source, University of Copenhagen = Københavns Universitet (UCPH)-University of Copenhagen = Københavns Universitet (UCPH), Universidade Federal do ABC = Federal University of ABC = Université Fédérale de l'ABC [Brazil] (UFABC), Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université Paris-Saclay-Centre National de la Recherche Scientifique (CNRS), National Research Council of Italy | Consiglio Nazionale delle Ricerche (CNR), and Universidade Estadual de Campinas = University of Campinas (UNICAMP)
Subjects: Infrared, Analytical chemistry, 02 engineering and technology, Neutron scattering, 010402 general chemistry, lcsh:Computer applications to medicine. Medical informatics, 01 natural sciences, Local anesthetics Bupivacaine Ropivacaine HP- b -cyclodextrin Complexation Inelastic neutron scattering, symbols.namesake, medicine, Spectroscopy, lcsh:Science (General), Data Article, chemistry.chemical_classification, [PHYS]Physics [physics], Multidisciplinary, Cyclodextrin, Ropivacaine, Oligosaccharide, 021001 nanoscience & nanotechnology, 3. Good health, 0104 chemical sciences, Crystallography, chemistry, X-ray crystallography, symbols, lcsh:R858-859.7, 0210 nano-technology, Raman spectroscopy, medicine.drug, lcsh:Q1-390
Abstract: The data presented in this article are related to the research article entitled “Probing the dynamics of complexed local anesthetics via neutron scattering spectroscopy and DFT calculations (http://dx.doi.org/10.1016/j.ijpharm.2017.03.051)” (Martins et al., 2017) [1]. This work shows the molecular and structural behavior of the local anesthetics (LAs) bupivacaine (BVC, C18H28N2O) and ropivacaine (RVC, C17H26N2O) before and after complexation with the water-soluble oligosaccharide 2-hydroxypropyl−β−cyclodextrin (HP-β-CD). & 2017 The Authors. Published by Elsevier Inc. This is an open access article under the CC BY license(http://creativecommons.org/licenses/by/4.0/).
Published: 2017
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46. Neutron spin echo monitoring of segmental-like diffusion of water confined in the cores of carbon nanotubes

Author: Parmentier, Alexandra, Maccarini, Marco, De Francesco, Alessio, Scaccia, Luisa, Rogati, Giovanna, Czakkel, Orsolya, De Luca, Francesco, Università degli Studi di Roma Tor Vergata [Roma], Systèmes Nanobiotechnologiques et Biomimétiques (TIMC-IMAG-SyNaBi), Techniques de l'Ingénierie Médicale et de la Complexité - Informatique, Mathématiques et Applications, Grenoble - UMR 5525 (TIMC-IMAG), Institut polytechnique de Grenoble - Grenoble Institute of Technology (Grenoble INP )-VetAgro Sup - Institut national d'enseignement supérieur et de recherche en alimentation, santé animale, sciences agronomiques et de l'environnement (VAS)-Centre National de la Recherche Scientifique (CNRS)-Université Grenoble Alpes [2016-2019] (UGA [2016-2019])-Institut polytechnique de Grenoble - Grenoble Institute of Technology (Grenoble INP )-VetAgro Sup - Institut national d'enseignement supérieur et de recherche en alimentation, santé animale, sciences agronomiques et de l'environnement (VAS)-Centre National de la Recherche Scientifique (CNRS)-Université Grenoble Alpes [2016-2019] (UGA [2016-2019]), CNR Istituto Officina dei Materiali (IOM), Consiglio Nazionale delle Ricerche [Roma] (CNR), Università degli Studi di Macerata = University of Macerata (UNIMC), and European Synchrotron Radiation Facility (ESRF)
Subjects: Neutron spin echo, carbon nanotubes, Bayesian analysis, Reversible Jump Monte Carlo Markov Chain, carbon nanotubes, Carbon Nano tubes, confined water, segmental dynamics, Bayesian analysis, [PHYS.COND]Physics [physics]/Condensed Matter [cond-mat], Neutron spin echo, Confined water, nanotubes, neutron spin echo, ComputingMilieux_MISCELLANEOUS, spin echo neutron scattering, Reversible Jump Monte Carlo Markov Chain
Abstract: Following the stream of increasing scientific interest in condensed-matter systems under ultra-hydrophobic confinement, the present work reports the first incoherent neutron spin echo assessment of the dynamics of water axially confined inside single-wall carbon nanotubes of diameter d∼ 1.4 nm. At the time scale of nanoseconds, two water populations are retrieved, whose relative proportion matches the one expected for a concentric shell + chain arrangement with cylindrical symmetry. The time dependence of the mean square displacement related to the external component is found to be subdiffusive, with peculiar resemblance to segmental diffusion typical of entangled polymeric systems.
Published: 2019
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47. Quo vadis niobium? Divergent coordination behavior of early-transition metals towards MOF-5

Author: Elisa Borfecchia, Mircea Dincă, Luca Braglia, Amgalanbaatar Baldansuren, Kirill A. Lomachenko, Christopher H. Hendon, Carlo Lamberti, Maciej D. Korzyński, Chemistry Department [Massachusetts Institute of Technology], Massachusetts Institute of Technology (MIT), CNR Istituto Officina dei Materiali (IOM), Consiglio Nazionale delle Ricerche [Roma] (CNR), Chemistry Department and NIS, University of Turin, European Synchrotron Radiation Facility (ESRF), School of Chemistry, University of Manchester [Manchester], Department of Chemistry, University of Oregon, and University of Oregon [Eugene]
Subjects: ORGANIC FRAMEWORKS, Absorption spectroscopy, XAS, Niobium, Nb-MOF-5, CATALYSTS, 010402 general chemistry, Metathesis, DFT, 01 natural sciences, Catalysis, chemistry.chemical_compound, Transition metal, [CHIM]Chemical Sciences, Reactivity (chemistry), SBus, Acetonitrile, MOF, 010405 organic chemistry, HYDROGEN STORAGE, General Chemistry, ADSORPTION PROPERTIES, REACTIVITY, 0104 chemical sciences, Niobium, MOF, Nb-MOF-5, post-synthetic modification, XAS, EXAFS, DFT, EXAFS, Crystallography, INTERPENETRATION, chemistry, Density functional theory, post-synthetic modification
Abstract: International audience; Treatment of MOF-5 with NbCl4(THF) 2 in acetonitrile leads to incorporation of Nb(IV) centers in a fashion that diverges from the established cation metathesis reactivity of this iconic material. A combination of X-ray absorption spectroscopy analysis and reactivity studies altogether supported by density functional theory computational studies document an unprecedented binding mode for the Zn4O(O2C-) 6 secondary building units (SBUs), which in Nb(IV)-MOF-5 function as k 2-chelating ligands for NbCl4 moieties, with no exchange of Zn2+ observed. This unusual reactivity expands the portfolio of postsynthetic modification techniques available for MOFs, exemplified here by MOF-5, and underscores the diverse coordination environments offered by this and potentially other MOFs towards heterometal species.
Published: 2019
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48. Magnetic anisotropy of La0.67Sr0.33MnO3 thin films on LSAT substrates

Author: Chaluvadi, Sandeep-Kumar, Ajejas, Fernando, Orgiani, Pasquale, Rousseau, Olivier, Vinai, Giovanni, Petrov, Alexander Yu, Torelli, Piero, Camarero, Julio, Perna, Paolo, Méchin, Laurence, Equipe Electronique - Laboratoire GREYC - UMR6072, Groupe de Recherche en Informatique, Image et Instrumentation de Caen (GREYC), Centre National de la Recherche Scientifique (CNRS)-École Nationale Supérieure d'Ingénieurs de Caen (ENSICAEN), Normandie Université (NU)-Normandie Université (NU)-Université de Caen Normandie (UNICAEN), Normandie Université (NU)-Centre National de la Recherche Scientifique (CNRS)-École Nationale Supérieure d'Ingénieurs de Caen (ENSICAEN), Normandie Université (NU), IMDEA Nanociencia (IMDEA), CNR Istituto Officina dei Materiali (IOM), Consiglio Nazionale delle Ricerche [Roma] (CNR), Laboratorio TASC (IOM CNR), Consiglio Nazionale delle Ricerche (CNR), Instituto IMDEA Nanociencia [Madrid], Instituto Imdea Nanociencia, and Méchin, Laurence
Subjects: [SPI.TRON] Engineering Sciences [physics]/Electronics, ComputingMilieux_MISCELLANEOUS, [SPI.TRON]Engineering Sciences [physics]/Electronics
Abstract: International audience
Published: 2018

49. Characterization of Pd/Y multilayers with B4C barrier layers using GIXR and X-ray standing wave enhanced HAXPES

Author: Vita Ilakovac, B. X. Li, Zhenhua Wang, Philippe Jonnard, Angelo Giglia, Qiushi Huang, Meiyi Wu, K. Le Guen, Jean-Pascal Rueff, Laboratoire de Chimie Physique - Matière et Rayonnement (LCPMR), Institut de Chimie du CNRS (INC)-Sorbonne Université (SU)-Centre National de la Recherche Scientifique (CNRS), Tongji University, Université de Cergy Pontoise (UCP), Université Paris-Seine, Northwestern Polytechnical University [Xi'an] (NPU), CNR Istituto Officina dei Materiali (IOM), Consiglio Nazionale delle Ricerche [Roma] (CNR), Synchrotron SOLEIL (SSOLEIL), and Centre National de la Recherche Scientifique (CNRS)
Subjects: Nuclear and High Energy Physics, Materials science, Photoemission spectroscopy, Enthalpy, FOS: Physical sciences, Applied Physics (physics.app-ph), 02 engineering and technology, Photon energy, 01 natural sciences, Molecular physics, 010309 optics, Standing wave, Pd/Y, hard x-ray photoemission spectroscopy, x-ray standing waves, 0103 physical sciences, [CHIM]Chemical Sciences, Reflectometry, nanometric multilayers, Instrumentation, Radiation, X-ray standing waves, X-ray, Physics - Applied Physics, Sputter deposition, 021001 nanoscience & nanotechnology, 0210 nano-technology
Abstract: Pd/Y multilayers are high reflectance mirrors designed to work in the 7.5-11 nm wavelength range. Samples, prepared by magnetron sputtering, are deposited with or without B4C barrier layers located at the interfaces of Pd and Y layers to reduce interdiffusion, which is expected by calculating mixing enthalpy of Pd and Y. Grazing incident x-ray reflectometry is used to characterize these multilayers. B4C barrier layers are found effective on reducing the Pd-Y interdiffusion. Details of the composition of the multilayers are revealed by hard x-ray photoemission spectroscopy under x-ray standing waves effect. It consists in measuring the photoemission intensity from samples that perform an angular scan in the region corresponding to the multilayer period and the incident photon energy according to the Bragg law. The experimental result indicates that Pd does not chemically react with B nor C at the Pd-B4C interfaces while Y does at the Y-B4C interfaces. The formation of Y-B or Y-C chemical compound can be the reason why the interfaces are stabilized. By comparing the experimentally obtained angular variation of the characteristic photoemission with the theoretical calculation, the depth distribution of each component element can be interpreted., 13 pages, 8 figures, 1 tables, 19 references
Published: 2018
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50. Room temperature biaxial magnetic anisotropy in La0.67Sr0.33MnO3 thin films on SrTiO3 buffered MgO (001) substrates for spintronic applications

Author: Chaluvadi, Sandeep Kumar, Ajejas, Fernando, Orgiani, Pasquale, Rousseau, Olivier, Vinai, Giovanni, Petrov, Aleksandr Yu, Torelli, Piero, Pautrat, Alain, Camarero, Julio, Perna, Paolo, Mechin, Laurence, Equipe Electronique - Laboratoire GREYC - UMR6072, Groupe de Recherche en Informatique, Image et Instrumentation de Caen (GREYC), Centre National de la Recherche Scientifique (CNRS)-École Nationale Supérieure d'Ingénieurs de Caen (ENSICAEN), Normandie Université (NU)-Normandie Université (NU)-Université de Caen Normandie (UNICAEN), Normandie Université (NU)-Centre National de la Recherche Scientifique (CNRS)-École Nationale Supérieure d'Ingénieurs de Caen (ENSICAEN), Normandie Université (NU), Universidad Autonoma de Madrid (UAM), Laboratorio TASC (IOM CNR), Consiglio Nazionale delle Ricerche (CNR), Laboratoire de cristallographie et sciences des matériaux (CRISMAT), École Nationale Supérieure d'Ingénieurs de Caen (ENSICAEN), Normandie Université (NU)-Normandie Université (NU)-Centre National de la Recherche Scientifique (CNRS)-Université de Caen Normandie (UNICAEN), Normandie Université (NU)-Institut de Chimie du CNRS (INC), Instituto IMDEA Nanociencia [Madrid], Instituto Imdea Nanociencia, 654360 NFFA-Europe, Université de Caen Normandie (UNICAEN), Normandie Université (NU)-Normandie Université (NU)-École Nationale Supérieure d'Ingénieurs de Caen (ENSICAEN), Normandie Université (NU)-Centre National de la Recherche Scientifique (CNRS)-Université de Caen Normandie (UNICAEN), Normandie Université (NU)-Centre National de la Recherche Scientifique (CNRS), Universidad Autónoma de Madrid (UAM), CNR Istituto Officina dei Materiali (IOM), National Research Council of Italy | Consiglio Nazionale delle Ricerche (CNR), SuPerconducting and other INnovative materials and devices institute (SPIN), Normandie Université (NU)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Institut de Recherche sur les Matériaux Avancés (IRMA), Normandie Université (NU)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université de Rouen Normandie (UNIROUEN), Normandie Université (NU)-Institut national des sciences appliquées Rouen Normandie (INSA Rouen Normandie), Institut National des Sciences Appliquées (INSA)-Normandie Université (NU)-Institut National des Sciences Appliquées (INSA)-Centre National de la Recherche Scientifique (CNRS)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université de Rouen Normandie (UNIROUEN), Institut National des Sciences Appliquées (INSA)-Normandie Université (NU)-Institut National des Sciences Appliquées (INSA)-Centre National de la Recherche Scientifique (CNRS), and UAM. Departamento de Física de la Materia Condensada
Subjects: Superconductivity, Materials science, Magnetic ordering, Magnetics materials, Physics and Astronomy (miscellaneous), Magnetoresistance, Magnetometer, Thin films, FOS: Physical sciences, Transition metal oxides, 02 engineering and technology, Substrate (electronics), 01 natural sciences, law.invention, Condensed Matter::Materials Science, [SPI]Engineering Sciences [physics], Spintronic devices, law, 0103 physical sciences, Thin film, 010306 general physics, Anisotropy, Magnetic materials, Magnetic anisotropy, ComputingMilieux_MISCELLANEOUS, Condensed Matter - Materials Science, Spintronics, Condensed matter physics, Física, Materials Science (cond-mat.mtrl-sci), Coercivity, 021001 nanoscience & nanotechnology, [SPI.TRON]Engineering Sciences [physics]/Electronics, Phase transitions, Ferromagnetism, Kerr effects, 0210 nano-technology
Abstract: © 2018 Author(s). This article is distributed under a Creative Commons Attribution (CC BY) License, Spintronics exploits the magnetoresistance effects to store or sense the magnetic information. Since the magnetoresistance strictly depends on the magnetic anisotropy of a system, it is fundamental to set a defined anisotropy to the system. Here, we investigate half-metallic La0.67Sr0.33MnO3 thin films by means of vectorial Magneto-Optical Kerr Magnetometry and found that they exhibit pure biaxial magnetic anisotropy at room temperature if grown onto a MgO (001) substrate with a thin SrTiO3 buffer. In this way, we can avoid unwanted uniaxial magnetic anisotropy contributions that may be detrimental for specific applications. The detailed study of the angular evolution of the magnetization reversal pathways and critical fields (coercivity and switching) discloses the origin of the magnetic anisotropy, which is magnetocrystalline in nature and shows fourfold symmetry at any temperature, S.K.C. acknowledges Programme International de Coopération Scientifique (PICS) du CNRS under Grant No. 6161 and SIMEM Doctoral School at Universite de Caen Normandie for financial support. IMDEA-Nanociencia acknowledges support from the “Severo Ochoa” Program for Centres of Excellence in R&D (MINECO, Grant No. SEV-2016-0686). F.A., J.C., and P.P. acknowledge the support of Spanish MINECO Project Nos. FIS2015-67287-P and FIS2016-78591-C3-1-R and the Comunidad de Madrid through Project NANOFRONTMAG CM. This project has received funding from the European Union’s Horizon 2020 research and innovation programme under Grant Agreement Nos. 737116 (byAxon) and 654360 NFFA-Europe
Published: 2018
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