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Excitons in organic crystalline semiconductors play a crucial role in the operation of optoelectronic devices such as organic solar cells, light-emitting diodes, and photodetectors. The excitonic properties of materials are dramatically affected by the presence of surfaces and interfaces. In this work, we investigate the influence of a neutral hydrogen-passivated 1x2 reconstructed (100) silicon substrate on excitons within the crystalline tetracene layer deposited on the top of it. Our findings reveal that singlet excitons in the contact tetracene layer are situated within the continuum of unbound Wannier-Mott excitonic states in silicon, with noteworthy hybridization between these states. Consequently, in the contact tetracene layer, all singlet excitons exhibit a pronounced interlayer charge transfer character, while the triplet exciton remains confined to the tetracene layer. This makes the singlet fission effect highly improbable for the contact tetracene layer. Additionally, the presence of the silicon substrate results in a modification of the singlet-triplet gap by 144 meV. This change is solely attributed to the hybridization with excitons in silicon, which influences the exchange energy. Our results show that the dynamic dielectric screening caused by the substrate does not impact the singlet-triplet gap but alters the exciton binding energies., Comment: 26 pages, 7 figures

Turbulence introduced into the intra-cluster medium (ICM) through cluster merger events transfers energy to non-thermal components, and can trigger the formation of diffuse synchrotron radio sources. Typical diffuse sources in the forms of giant radio halos and mini-halos are found in merging and relaxed cool core galaxy clusters, respectively. On the other hand, recent observations have revealed an increasing complexity of the non-thermal phenomenology. Abell 2142 (A2142) is a mildly disturbed cluster that exhibits uncommon thermal and non-thermal properties. It is known to host a hybrid halo consisting of two components (H1 and H2), namely a mini-halo-like and an enigmatic elongated radio halo-like structure. We aim to investigate the properties, origin, and connections of each component. We present deep LOFAR observations of A2142 in the frequency ranges $30-78$ MHz and $120-168$ MHz. With complementary multi-frequency radio and X-ray data, we analyse the radio spectral properties of the halo and assess the connection between the non-thermal and thermal components of the ICM. We detected a third radio component (H3), which extends over the cluster volume on scales $\sim 2$ Mpc, embeds H1 and H2, and has a morphology that roughly follows the thermal ICM distribution. The radio spectral index is moderately steep in H1 ($\alpha=1.09\pm 0.02$) and H2 ($\alpha=1.15\pm 0.02$), but is steeper ($\alpha=1.57\pm 0.20$) in H3. The analysis of the thermal and non-thermal properties allowed us to discuss possible formation scenarios for each radio component. Turbulence from sloshing motions of low-entropy gas on different scales may be responsible for the origin of H1 and H2. We classified H3 as a giant ultra-steep spectrum radio halo, which could trace the residual activity from an old energetic merger and/or inefficient turbulent re-acceleration induced by ongoing minor mergers., Comment: 24 pages (including Appendix), 15 Figures (plus 4 Figures in Appendix), Accepted for publication by A&A

An upgrade of the near detector of the T2K long baseline neutrino oscillation experiment is currently being conducted. This upgrade will include two new Time Projection Chambers, each equipped with 16 charge readout resistive Micromegas modules. A procedure to validate the performance of the detectors at different stages of production has been developed and implemented to ensure a proper and reliable operation of the detectors once installed. A dedicated X-ray test bench is used to characterize the detectors by scanning each pad individually and to precisely measure the uniformity of the gain and the deposited energy resolution over the pad plane. An energy resolution of about 10% is obtained. A detailed physical model has been developed to describe the charge dispersion phenomena in the resistive Micromegas anode. The detailed physical description includes initial ionization, electron drift, diffusion effects and the readout electronics effects. The model provides an excellent characterization of the charge spreading of the experimental measurements and allowed the simultaneous extraction of gain and RC information of the modules.

ESCAPE (European Science Cluster of Astronomy and Particle physics ESFRI research infrastructures) is a project to set up a cluster of ESFRI (European Strategy Forum on Research Infrastructures) facilities for astronomy, astroparticle and particle physics to face the challenges emerging through the modern multi-disciplinary data driven science. One of the main goal of ESCAPE is the building of ESAP (ESFRI Science Analysis Platform), a science platform for the analysis of open access data available through the EOSC (European Open Science Cloud) environment. ESAP will allow EOSC researchers to identify and stage existing data collections for analysis, share data, share and run scientific workflows. For many of the concerned ESFRIs and RIs, the data scales involved require significant computational resources (storage and compute) to support processing and analysis. The EOSC-ESFRI science platform therefore must implement appropriate interfaces to an underlying HPC (High Performance Computing) or HTC (High Throughput Computing) infrastructure to take advantage of it. This poster describes the analysis done to identify the main requirements for the implementation of the interfaces enabling the ESAP data access and computation resources integration in HPC and HTC computation infrastructures in terms of authentication and authorization policies, data management, workflow deployment and run., Comment: Will appear in Proceedings ADASSXXX ASP Conference Series

Extended radio sources in the sky require a dense sampling of short baselines to be properly imaged by interferometers. This problem arises in many areas of radio astronomy, such as in the study of galaxy clusters, which may host Mpc-scale diffuse synchrotron sources in the form of radio halos. In clusters where no radio halos are detected, owing to intrinsic absence of emission or extrinsic (instrumental and/or observational) effects, it is possible to determine upper limits. We consider a sample of Planck galaxy clusters from the Second Data Release of the LOFAR Two Meter Sky Survey (LoTSS-DR2) where no radio halos are detected. We use this sample to test the capabilities of LOFAR to recover diffuse extended emission and derive upper limits. Through the injection technique, we simulate radio halos with various surface brightness profiles. We then predict the corresponding visibilities and image them along with the real visibilities. This method allows us to test the fraction of flux density losses owing to inadequate uv-coverage and obtain thresholds at which the mock emission becomes undetectable by visual inspection. The dense uv-coverage of LOFAR at short spacings allows to recover $\gtrsim90\%$ of the flux density of targets with sizes up to $\sim 15'$. We find a relation that provides upper limits based on the image noise and extent (in terms of number of beams) of the mock halo. This relation can be safely adopted to obtain upper limits without injecting when artifacts introduced by the subtraction of the discrete sources are negligible in the central region of the cluster. Otherwise, the injection process and visual inspection of the images are necessary to determine more reliable limits. Through these methods, we obtain upper limits for 75 clusters to be exploited in ongoing statistical studies., Comment: 20 pages (including Appendices). 21 Figures. 4 Tables. Accepted for publication by A&A. For the project Webpage see https://lofar-surveys.org/planck_dr2.html

In this paper we describe the performance of a prototype of the High Angle Time Projection Chambers (HA-TPCs) that are being produced for the Near Detector (ND280) upgrade of the T2K experiment. The two HA-TPCs of ND280 will be instrumented with eight Encapsulated Resistive Anode Micromegas (ERAM) on each endplate, thus constituting in total 32 ERAMs. This innovative technique allows the detection of the charge emitted by ionization electrons over several pads, improving the determination of the track position. The TPC prototype has been equipped with the first ERAM module produced for T2K and with the HA-TPC readout electronics chain and it has been exposed to the DESY Test Beam in order to measure spatial and dE/dx resolution. In this paper we characterize the performances of the ERAM and, for the first time, we compare them with a newly developed simulation of the detector response. Spatial resolution better than 800 ${\mu \rm m}$ and dE/dx resolution better than 10% are observed for all the incident angles and for all the drift distances of interest. All the main features of the data are correctly reproduced by the simulation and these performances fully fulfill the requirements for the HA-TPCs of T2K.

Purpose: To describe the dosimetric commissioning and quality assurance (QA) of the actively scanned proton and carbon ion beams at the Italian National Center for Oncological Hadrontherapy. Methods: The laterally integrated depth-dose-distributions (IDDs) were acquired with the PTW Peakfinder, a variable depth water column, equipped with two Bragg peak ionization chambers. FLUKA MC code was used to generate the energy libraries, the IDDs in water, and the fragment spectra for carbon beams. EBT3 films were used for spot size measurements, beam position over the scan field, and homogeneity in 2D-fields. Beam monitor calibration was performed in terms of number of particles per MU using both a Farmer-type and an Advanced Markus ionization chamber. The beam position at the isocenter, beam monitor calibration curve, dose constancy in the center of the spread-out-Bragg-peak, dose homogeneity in 2D-fields, beam energy, spot size, and spot position over the scan field are all checked on a daily basis for both protons and carbon ions and on all beam lines. Results: The simulated IDDs showed an excellent agreement with the measured experimental curves. The measured FWHM of the pencil beam in air at the isocenter was from 0.7 to 2.2 cm for protons. For carbon ions, two sets of spot size are available: from 0.4 to 0.8 cm (for the smaller) and from 0.8 to 1.1 cm (for the larger one). The spot position was within +/-1 mm over the whole 20x20 cm2 scan field; homogeneity in a uniform squared field was within +/-5% for both particle types at any energy. QA results exceeding tolerance levels were rarely found. In the reporting period, the machine downtime was around 6%, of which 4.5% was due to planned maintenance shutdowns. Conclusions: After successful dosimetric beam commissioning, quality assurance measurements performed during a 24-month period show very stable beam characteristics.

Hybrid inorganic-organic semiconductor interfaces are of interest for new photovoltaic devices operating above the Shockley-Queisser limit. Predicting energy band alignment at the interfaces is crucial for their design, but represents a challenging problem due to the large scales of the system, the energy precision required and a wide range of physical phenomena that occur at the interface. To tackle this problem, we use many-body perturbation theory in the non-self-consistent GW approximation, orbital relaxation corrections for organic semiconductors, and line-up potential method for inorganic semiconductors which allows for tractable and accurate computing of energy band alignment in crystalline van-der-Waals hybrid inorganic-organic semiconductor interfaces. In this work, we study crystalline tetracene physisorbed on the clean hydrogen-passivated 1x2 reconstructed (100) silicon surface. Using this computational approach, we find that the energy band alignment is determined by an interplay of the mutual dynamic dielectric screening of two materials and the formation of a dipole layer due to a weak hybridization of atomic/molecular orbitals at the interface. We also emphasize the significant role of the exchange-correlation effects in predicting band offsets for the hybrid inorganic-organic semiconductor interfaces.

Core-collapse supernovae are among the most magnificent events in the observable universe. They produce many of the chemical elements necessary for life to exist and their remnants -- neutron stars and black holes -- are interesting astrophysical objects in their own right. However, despite millennia of observations and almost a century of astrophysical study, the explosion mechanism of core-collapse supernovae is not yet well understood. Hyper-Kamiokande is a next-generation neutrino detector that will be able to observe the neutrino flux from the next galactic core-collapse supernova in unprecedented detail. We focus on the first 500 ms of the neutrino burst, corresponding to the accretion phase, and use a newly-developed, high-precision supernova event generator to simulate Hyper-Kamiokande's response to five different supernova models. We show that Hyper-Kamiokande will be able to distinguish between these models with high accuracy for a supernova at a distance of up to 100 kpc. Once the next galactic supernova happens, this ability will be a powerful tool for guiding simulations towards a precise reproduction of the explosion mechanism observed in nature., Comment: 21 pages, 7 figures. Article based on thesis published as arXiv:2002.01649. v2: added references and some explanations in response to reviewer comments

Hyper-Kamiokande is the next generation underground water Cherenkov detector that builds on the highly successful Super-Kamiokande experiment. The detector which has an 8.4~times larger effective volume than its predecessor will be located along the T2K neutrino beamline and utilize an upgraded J-PARC beam with 2.6~times beam power. Hyper-K's low energy threshold combined with the very large fiducial volume make the detector unique, that is expected to acquire an unprecedented exposure of 3.8~Mton$\cdot$year over a period of 20~years of operation. Hyper-Kamiokande combines an extremely diverse science program including nucleon decays, long-baseline neutrino oscillations, atmospheric neutrinos, and neutrinos from astrophysical origins. The scientific scope of this program is highly complementary to liquid-argon detectors for example in sensitivity to nucleon decay channels or supernova detection modes. Hyper-Kamiokande construction has started in early 2020 and the experiment is expected to start operations in 2027. The Hyper-Kamiokande collaboration is presently being formed amongst groups from 19 countries including the United States, whose community has a long history of making significant contributions to the neutrino physics program in Japan. US physicists have played leading roles in the Kamiokande, Super-Kamiokande, EGADS, K2K, and T2K programs., Comment: 6 pages, prepared as Snowmass2021 LOI

Aluminium oxide (AlO$_\mathrm{x}$) tunnel junctions are important components in a range of nanoelectric devices including superconducting qubits where they can be used as Josephson junctions. While many improvements in the reproducibility and reliability of qubits have been made possible through new circuit designs, there are still knowledge gaps in the relevant materials science. A better understanding of how fabrication conditions affect the density, uniformity, and elemental composition of the oxide barrier may lead to the development of lower noise and more reliable nanoelectronics and quantum computers. In this paper we use molecular dynamics to develop models of Al-AlO$_\mathrm{x}$-Al junctions by iteratively growing the structures with sequential calculations. With this approach we can see how the surface oxide grows and changes during the oxidation simulation. Dynamic processes such as the evolution of a charge gradient across the oxide, the formation of holes in the oxide layer, and changes between amorphous and semi-crystalline phases are observed. Our results are widely in agreement with previous work including reported oxide densities, self-limiting of the oxidation, and increased crystallinity as the simulation temperature is raised. The encapsulation of the oxide with metal evaporation is also studied atom by atom. Low density regions at the metal-oxide interfaces are a common feature in the final junction structures which persists for different oxidation parameters, empirical potentials, and crystal orientations of the aluminium substrate., Comment: 14 pages, 16 figures

Many nanoelectronic devices rely on thin dielectric barriers through which electrons tunnel. For instance, aluminium oxide barriers are used as Josephson junctions in superconducting electronics. The reproducibility and drift of circuit parameters in these junctions are affected by the uniformity, morphology, and composition of the oxide barriers. To improve these circuits the effect of the atomic structure on the electrical response of aluminium oxide barriers must be understood. We create three-dimensional atomistic models of aluminium oxide tunnel junctions and simulate their electronic transport properties with the non-equilibrium Green's function formalism. Increasing the oxide density is found to produce an exponential increase in the junction resistance. In highly oxygen-deficient junctions we observe metallic channels which decrease the resistance significantly. Computing the charge and current density within the junction shows how variation in the local potential landscape can create channels which dominate conduction. An atomistic approach provides a better understanding of these transport processes and guides the design of junctions for nanoelectronics applications., Comment: 10 pages, 9 figures

Like silicon-based semiconductor devices, van der Waals heterostructures will require integration with high-K oxides. This is needed to achieve suitable voltage scaling, improved performance as well as allowing for added functionalities. Unfortunately, commonly used high-k oxide deposition methods are not directly compatible with 2D materials. Here we demonstrate a method to embed a multi-functional few nm thick high-k oxide within van der Waals devices without degrading the properties of the neighbouring 2D materials. This is achieved by in-situ laser oxidation of embedded few layer HfS2 crystals. The resultant oxide is found to be in the amorphous phase with a dielectric constant of k~15 and break-down electric fields in the range of 0.5-0.6 V/nm. This transformation allows for the creation of a variety of fundamental nano-electronic and opto-electronic devices including, flexible Schottky barrier field effect transistors, dual gated graphene transistors as well as vertical light emitting and detecting tunnelling transistors. Furthermore, upon dielectric break-down, electrically conductive filaments are formed. This filamentation process can be used to electrically contact encapsulated conductive materials. Careful control of the filamentation process also allows for reversible switching between two resistance states. This allows for the creation of resistive switching random access memories (ReRAMs). We believe that this method of embedding a high-k oxide within complex van der Waals heterostructures could play an important role in future flexible multi-functional van der Waals devices., Comment: Accepted for publication in Science Advances

The s manifold energy levels for phosphorus donors in silicon are important input parameters for the design and modelling of electronic devices on the nanoscale. In this paper we calculate these energy levels from first principles using density functional theory. The wavefunction of the donor electron's ground state is found to have a form that is similar to an atomic s orbital, with an effective Bohr radius of 1.8 nm. The corresponding binding energy of this state is found to be 41 meV, which is in good agreement with the currently accepted value of 45.59 meV. We also calculate the energies of the excited 1s(T) and 1s(E) states, finding them to be 32 and 31 meV respectively. These results constitute the first ab initio confirmation of the s manifold energy levels for phosphorus donors in silicon., Comment: 9 pages, 6 figures