Dynamical screening in SrVO$_3$: Inelastic x-ray scattering experiments and ab initio calculations

TL;DR

This study combines inelastic x-ray scattering experiments with ab initio calculations to explore the high-energy dielectric screening in SrVO$_3$, highlighting the role of crystal local fields in correlated metals.

Contribution

It provides a detailed experimental and theoretical analysis of dynamical screening in SrVO$_3$, emphasizing the importance of local fields in charge response functions.

Findings

Excellent agreement between experiments and first-principles calculations.

Crystal local fields significantly influence charge response and depolarization effects.

Coupling of spectra across different Brillouin zones observed.

Abstract

We characterize experimentally and theoretically the high-energy dielectric screening properties of the prototypical correlated metal SrVO$_3$. The dynamical structure factor measured by inelastic x-ray scattering spectroscopy as a function of momentum transfer is in very good agreement with first-principles calculations in the adiabatic local density approximation to time-dependent density-functional theory. Our results reveal the crucial importance of crystal local fields in the charge response function of correlated materials: They lead to depolarization effects for localised excitations and couple spectra from different Brillouin zones.