Dynamical screening in strongly correlated metal SrVO3

TL;DR

This paper incorporates dynamical screening of Coulomb interactions into ab initio calculations for SrVO3, revealing significant effects on spectral properties, effective mass, and quasiparticle bands, aligning well with experimental data.

Contribution

It introduces a method to include frequency-dependent Coulomb interactions in ab initio LDA+DMFT calculations for realistic materials.

Findings

Dynamical screening renormalizes spectral weight near the Fermi level.

It increases the effective mass of electrons.

It suppresses the t2g quasiparticle bandwidth.

Abstract

The consequences of dynamical screening of Coulomb interaction among correlated electrons in realistic materials have not been widely considered before. In this letter we try to incorporate a frequency dependent Coulomb interaction into the state-of-the-art ab initio electronic structure computing framework of local density approximation plus dynamical mean-field theory, and then choose SrVO3 as a prototype material to demonstrate the importance of dynamical screening effect. It is shown to renormalise the spectral weight near the Fermi level, to increase the effective mass, and to suppress the t2g quasiparticle band width apparently. The calculated results are in accordance with very recent angle-resolved photoemission spectroscopy experiments and Bose factor ansatz calculations.