Related papers: Dynamical screening in SrVO$_3$: Inelastic x-ray s…

The acoustic excitations of the expanded metal solutions Li-NH$_3$ have been measured by inelastic X-ray scattering as a function of the electron density by changing the Li concentration. The dielectric functions of these model metals with…

We present a temperature and doping dependent resonant inelastic X-ray scattering experiment at the V L$_{2,3}$ and O K edges in La$_{1-x}$Sr$_x$VO$_3$ for $x=0$ and $x=0.1$. This material is a canonical example of a compound that exhibits…

We have studied the high-frequency dynamics of salol by inelastic x-ray scattering over a wide temperature range between 50 and 450 K, across the glass transition. We find that salol efficiently realizes the mechanism of dynamical arrest…

We develop an analytic model of vector correlations in rotationally inelastic atom-diatom collisions and test it against the much examined Ar--NO ($\mathbf X^2 \Pi$) system. Based on the Fraunhofer scattering of matter waves, the model…

In this work we provide a thorough examination of the nonlinear dielectric properties of a succinonitrile-glutaronitrile mixture, representing one of the rare example of a plastic crystal with fragile glassy dynamics. The detected…

By investigating the crystalline structure of ground-state orthorhombic SrRuO$_3$, we present a benchmark study of some of the most popular density functional theory (DFT) approaches from the local density approximation (LDA),…

We present a Coherent X-ray Diffraction study of the antiferrodistortive displacive transition of SrTiO$_3$, a prototypical example of a phase transition for which the critical fluctuations exhibit two length scales and two time scales.…

New results on diffractive deep-inelastic $e p$ scattering at HERA are presented using data taken in 1994 with the H1 detector. The cross section for diffractive deep-inelastic scattering is measured in terms of a diffractive structure…

We perform first-principles calculations of optical properties for ferroelectric phase of $LiNbO_3$ crystal using density functional theory for wide range of wavelengths, from far-infrared to ultraviolet. We study frequency dependence of…

Intermetallics, which encompass a wide range of compounds, often exhibit similar or closely related crystal structures, resulting in various intermetallic systems with structurally derivative phases. This study examines the hypothesis that…

We report an ab initio molecular dynamics simulation study of several static and dynamic properties of the liquid 3d transition metals. The calculated static structure factors show qualitative agreement with the available experimental data,…

We report inelastic x-ray scattering experiments on the lattice dynamics in SmFeAsO and superconducting SmFeAsO$_{0.6}$F$_{0.35}$ single crystals. Particular attention was paid to the dispersions along the [100] direction of three optical…

We have performed an extensive test of the ability of density functional theory within several approximations for the exchange-correlation functional, local density approximation+Hubbard $U$ and local density approximation + dynamic mean…

The accurate description of electrons at extreme density and temperature is of paramount importance for, e.g., the understanding of astrophysical objects and inertial confinement fusion. In this context, the dynamic structure factor…

First-principles calculations based on density functional theory + Hubbard U (DFT+U) approach have been carried out to study the strain induced variations in the optical and transport properties of the correlated perovskite SrVO$_3$. By…

We present the results of numerical studies for selected materials with strongly correlated electrons using a combination of the local-density approximation and dynamical mean-field theory (DMFT). For the solution of the DMFT equations a…

We calculate the properties of the 4$d$ ferromagnet SrRuO$_3$ in bulk and thin film form with the aim of understanding the experimentally observed metal to insulator transition at reduced thickness. Although the spatial extent of the 4$d$…

In this paper we present a fully ab initio Hartree-Fock approach aimed at calculating the static structure factor of crystalline insulators at arbitrary values of momentum transfer. In particular, we outline the computation of the…

We perform first principles simulations for the structural, elastic and electronic properties of orthorhombic samarium orthoferrite $SmFeO_3$ within the framework of density functional theory. A number of different density functionals, such…

Neutron diffraction measurements are presented exploring the magnetic and structural phase behaviors of the candidate J$_{eff}=1/2$ Mott insulating iridate Sr$_2$IrO$_4$. Comparisons are drawn between the correlated magnetism in this single…