Related papers: Universal amorphous-amorphous transition in GexSe1…
We use coherent X-rays to probe the aging dynamics of a metallic glass directly on the atomic level. Contrary to the common assumption of a steady slowing down of the dynamics usually observed in macroscopic studies, we show that the…
High pressure behaviour of liquid GeO2 is investigated by means of molecular dynamics simulations in the pressure range 0-20 GPa and at various temperatures. In agreement with the recent experiments (PRL, 92, 155506, 2004), Ge-O…
This article discusses the pressure-induced structural phase transition and related phonon, electronic and optical properties of hexagonal {\epsilon}-GaSe using first-principles calculations. The study focuses on optimizing geometric and…
We report results of the first computer simulation studies of a physically adsorbed gas on a quasicrystalline surface, Xe on decagonal Al-Ni-Co. The grand canonical Monte Carlo method is employed, using a semi-empirical gas-surface…
The nature of defects in amorphous materials, analogous to vacancies and dislocations in crystals, remains elusive. Here we explore their nature in a three-dimensional microscopic model glass-former which describes granular, colloidal,…
The pressure-induced changes in the optical properties of $\beta$-Na$_{0.33}$V$_2$O$_5$ single crystals at room temperature were studied by polarization-dependent Raman and far-infrared reflectivity measurements under high pressure. From…
We studied the effect of external pressure on the optical response of the nodal-line semimetal candidate ZrSiTe by reflectivity measurements. At pressures of a few GPa, the reflectivity, optical conductivity, and loss function are strongly…
Over the past two decades synchrotron facilities dedicated to the generation of x-rays for study of atoms, molecules and condensed matter have proliferated all over the world. As a result of the special properties of x-rays produced by…
Based on ab initio calculations and metadynamics simulations, we predict that 2H-MoS$_2$, a layered insulator, will metallize under pressures in excess of 20-30 GPa. In the same pressure range, simulations and enthalpy optimization predict…
Molecular dynamics simulations are performed to examine the dynamic response of amorphous solids to oscillatory shear at finite temperatures. The data were collected from a poorly annealed binary glass, which was deformed periodically in…
The effect of alternating shear orientation during cyclic loading on the relaxation dynamics in disordered solids is examined using molecular dynamics simulations. The model glass was initially prepared by rapid cooling from the liquid…
The effect of alkaline earth substitution on structural parameters was studied in high-quality single crystals of Ba(1-x)Sr(x)Fe2As2 and Sr(1-x)Ca(x)Fe2As2 grown by the self-flux method. The results of single-crystal and powder x-ray…
The extremely large magnetoresistance (XMR) in nonmagnetic semimetals has inspired growing interest owing to both intriguing physics and potential applications. We report results of synchrotron X-ray diffraction (SXRD) and electrical…
We describe a method to determine whether a material has isomorphs in its thermodynamic phase diagram. Isomorphs are state points for which various properties are invariant in reduced units. Such materials are commonly identified from…
We use X-Ray Photon Correlation Spectroscopy to investigate the structural relaxation process in a metallic glass on the atomic length scale. We report evidence for a dynamical crossover between the supercooled liquid phase and the…
We have measured plasmon energies in Na under high pressure up to 43 GPa using inelastic x-ray scattering (IXS). The momentum-resolved results show clear deviations, growing with increasing pressure, from the predictions for a nearly-free…
The plastic deformation of amorphous solids is mediated by localized shear transformations involving small groups of particles rearranging irreversibly in an elastic background. We introduce and compare three different computational methods…
The peculiarities of superstructural transition (2x4) -> (3x1(6)) on the GaAs(001) surface were studied by the RHEED method in the conditions initiated by a sharp change of the arsenic flux. The specular beam intensities RHEED picture…
We investigate how structural relaxation in mixtures with strong dynamical asymmetry is affected by the microscopic dynamics. Brownian and Newtonian dynamics simulations of dense mixtures of fast and slow hard spheres reveal a striking…
The dynamic structure factor of glassy and liquid glycerol has been measured by inelastic X-ray scattering in the exchanged momentum ($Q$) region $Q$=2$\div$23 nm$^{-1}$ and in the temperature range 80$\div$570 K. Beside the propagating…