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Smectic liquid crystals can be viewed as model systems for lamellar structures for which there has been extensive theoretical development. We demonstrate that a nonlinear energy description is required with respect to the usual Landau-de Gennes elasticity in order to explain the observed layer spacing of highly curved smectic layers. Using X-ray diffraction we have quantitatively determined the dilation of bent layers distorted by antagonistic anchoring (as high as 1.8% of dilation for the most bent smectic layers) and accurately described it by the minimal nonlinear expression for energy. We observe a 1{\deg} tilt of planar layers that are connected to the curved layers. This value is consistent with simple energetic calculations, demonstrating how the bending energy impacts the overall structure of a thin distorted smectic film. Finally, we show that combined X-ray measurements and theoretical modeling allow for the quantitative determination of the number of curved smectic layers and of the resulting thickness of the dilated region with unprecedented precision., Comment: 6 pages with 6 figures

Unlike silicene, for which the demonstration of its existence has been done through numerous independent studies, the possibility of growing epitaxial germanene remains highly controversial. It has been recently shown by scanning tunneling microscopy that the (3 x 3) surface reconstruction formed upon Ge deposition on Al(111) presents a honeycomb structure, and it was assigned to a pure germanene monolayer. Using quantitative measurements by surface X-ray diffraction compared to density functional theory calculations, we demonstrate that this Ge/Al(111) (3 x 3) reconstruction corresponds, in fact, to a mixed Ge--Al honeycomb layer on top of an alloyed interfacial layer. The model of a germanene monolayer on top of the Al(111) surface can be completely excluded.

Two-dimensional (2D) honeycomb lattices beyond graphene, such as germanene, promise new physical properties such as quantum spin Hall effect. While there have been many claims of growth of germanene, the lack of precise structural characterization of the epitaxial layers synthesized hinders further research. The striped layer formed by Ge deposition on Ag(111) has been recently ascribed as a stretched germanene layer. Using surface X-ray diffraction and density functional theory calculations, we demonstrate that it corresponds in fact to a Ag$_2$Ge surface alloy with an atomic density 6.45% higher than the Ag(111) atomic density. The overall structure is formed by stripes associated with a face-centered cubic top-layer alignment, alternating with stripes associated with an hexagonal-close-packed top-layer alignment, in great analogy with the ($22\times\sqrt3$) Au(111) reconstruction.

Coherent diffraction imaging enables the imaging of individual defects, such as dislocations or stacking faults, in materials.These defects and their surrounding elastic strain fields have a critical influence on the macroscopic properties and functionality of materials. However, their identification in Bragg coherent diffraction imaging remains a challenge and requires significant data mining. The ability to identify defects from the diffraction pattern alone would be a significant advantage when targeting specific defect types and accelerates experiment design and execution. Here, we exploit a computational tool based on a three-dimensional (3D) parametric atomistic model and a convolutional neural network to predict dislocations in a crystal from its 3D coherent diffraction pattern. Simulated diffraction patterns from several thousands of relaxed atomistic configurations of nanocrystals are used to train the neural network and to predict the presence or absence of dislocations as well as their type(screw or edge). Our study paves the way for defect recognition in 3D coherent diffraction patterns for material science, Comment: Main: 12 pages, 4 figures, 1 table Supplemental: 25 pages, 16 Figures, 8 tables Recently accepted in NPJ Computational Materials

Au-Cu bimetallic nanoparticles (NPs) grown on TiO 2 (110) have been followed in-situ using grazing incidence x-ray diffraction and x-ray photoemission spectroscopy from their synthesis to their exposure to a CO/O 2 mixture at low pressure (P < 10-5 mbar) and at different temperatures (300 K-470 K). As-prepared samples are composed of two types of alloyed NPs: randomly oriented and

In this paper we analyze in details the electronic properties of (Co/Ni) multilayers, a model system for spintronics devices. We use magneto-optical Kerr (MOKE), spin-polarized photoemission spectroscopy (SRPES), x-ray magnetic circular dichroism (XMCD) and anomalous surface diffraction experiments to investigate the electronic properties and perpendicular magnetic anisotropy (PMA) in [Co(x)/Ni(y)] single-crystalline stacks grown by molecular beam epitaxy., Comment: 11 pages, 11 figures, 1 Table

Using highly controlled coverages of graphene on SiC(0001), we have studied the structure of the first graphene layer that grows on the SiC interface. This layer, known as the buffer layer, is semiconducting. Using x-ray reflectivity and x-ray standing waves analysis we have performed a comparative study of the buffer layer structure with and without an additional monolayer graphene layer above it. We show that no more than 26\% of the buffer carbon is covalently bonded to Si in the SiC interface. We also show that the top SiC bilayer is Si depleted and is the likely the cause of the incommensuration previously observed in this system. When a monolayer graphene layer forms above the buffer, the buffer layer becomes less corrugated with signs of a change in the bonding geometry with the SiC interface. At the same time, the entire SiC interface becomes more disordered, presumably due to entropy associated with the higher growth temperature., Comment: 12 pages, 9 figures

Producing a usable semiconducting form of graphene has plagued the development of graphene electronics for nearly two decades. Now that new preparation methods have become available, graphene's intrinsic properties can be measured and the search for semiconducting graphene has begun to produce results. This is the case of the first graphene "buffer" layer grown on SiC(0001) presented in this work. We show, contrary to assumptions of the last forty years, that the buffer graphene layer is not commensurate with SiC. The new modulated structure we've found resolves a long standing contradiction where ab initio calculations expect a metallic buffer, while experimentally it is found to be a semiconductor. Model calculations using the new incommensurate structure show that the semiconducting $\pi$-band character of the buffer comes from partially hybridized graphene incommensurate boundaries surrounding unperturbed graphene islands., Comment: 17 pages, 4 figures, 1 table, 47 references, supplemental material: 15 pages, 4 figures

MnSi has been extensively studied for five decades, nonetheless detailed information on the Fermi surface (FS) symmetry is still lacking. This missed information prevented from a comprehensive understanding the nature of the magnetic interaction in this material. Here, by performing angle-resolved photoemission spectroscopy on high-quality MnSi films epitaxially grown on Si(111), we unveil the FS symmetry and the evolution of the electronic structure across the paramagnetic-helimagnetic transition at T$_C$ $\sim$ 40 K, along with the appearance of sharp quasiparticle emission below T$_C$. The shape of the resulting FS is found to fulfill robust nesting effects. These effects can be at the origin of strong magnetic fluctuations not accounted for by state-of-art quasiparticle self-consistent GW approximation. From this perspective, the unforeseen quasiparticle damping detected in the paramagnetic phase and relaxing only below T$_C$, along with the persistence of the d-bands splitting well above T$_C$, at odds with a simple Stoner model for itinerant magnetism, open the search for exotic magnetic interactions favored by FS nesting and affecting the quasiparticles lifetime.