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

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.

References in corpus (36)

• A linear response approach to the calculation of the effective interaction parameters in the LDA+U method
• Frequency-dependent local interactions and low-energy effective models from electronic structure calculations
• Calculations of Hubbard U from first-principles
• Mott transition and suppression of orbital fluctuations in orthorhombic 3$d^1$ perovskites
• Hubbard U and Hund's Exchange J in Transition Metal Oxides: Screening vs. Localization Trends from Constrained Random Phase Approximation
• Screened Coulomb interaction in the maximally localized Wannier basis
• Plane-wave based electronic structure calculations for correlated materials using dynamical mean-field theory and projected local orbitals
• Mutual Experimental and Theoretical Validation of Bulk Photoemission Spectra of Sr1-xCaxVO3
• Dynamical mean-field theory using Wannier functions: a flexible route to electronic structure calculations of strongly correlated materials
• Comparative study of correlation effects in CaVO3 and SrVO3
• When strong correlations become weak: Consistent merging of $GW$ and DMFT
• Combined GW and dynamical mean field theory: Dynamical screening effects in transition metal oxides
• Multitier self-consistent $GW$+EDMFT
• Dynamical screening effects in correlated materials: plasmon satellites and spectral weight transfers from a Green's function ansatz to extended dynamical mean field theory
• Effective Onsite Interaction for Dynamical Mean-Field Theory
• Comparing $GW$+DMFT and LDA+DMFT for the testbed material SrVO${}_3$
• Understanding the bulk electronic structure of Ca1-xSrxVO3
• Bulk and surface-sensitive high-resolution photoemission study of Mott-Hubbard systems SrVO${}_3$ and CaVO${}_3$
• Time Dependent Density Functional Theory meets Dynamical Mean Field Theory: Real-Time Dynamics for the 3D Hubbard model
• Hubbard band or oxygen vacancy states in the correlated electron metal SrVO${}_3$?
• On the limitations of cRPA downfolding
• Ab initio GW plus cumulant calculation for isolated band system: Application to organic conductor (TMTSF)2PF6 and transition-metal oxide SrVO3
• Electron-hole and plasmon excitations in 3d transition metals: Ab initio calculations and inelastic x-ray scattering measurements
• Accuracy of downfolding based on the constrained random phase approximation
• Low-Energy Charge-Density Excitations in MgB${}_2$: Striking Interplay between Single-Particle and Collective Behavior for Large Momenta
• Screening from $e_g$ states and antiferromagnetic correlations in $d^{(1,2,3)}$ perovskites: A $GW$+EDMFT investigation
• Dynamical cluster approximation within an augmented plane-wave framework: Spectral properties of SrVO${}_3$
• Ab initio calculation of low-energy collective charge-density excitations in MgB2
• Anomalous Angular Dependence of the Dynamic Structure Factor near Bragg Reflections: Graphite
• Dynamical screening in strongly correlated metal SrVO3
• Dynamical Linear Response of TDDFT with LDA+U Functional: strongly hybridized Frenkel excitons in NiO
• Electronic Localization in CaVO3 Films via Bandwidth Control
• Generation of multiple plasmons in strontium niobates mediated by local field effects
• Large crystal local-field effects in the dynamical structure factor of rutile TiO2
• Resonant soft x-ray emission as a bulk probe of correlated electron behavior in metallic Sr${}_x$Ca${}_{1-x}$VO${}_3$
• Screening in YBCO at large wave vectors

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