Consistent description of the electronic structure of SrVO$_{3}$ within GW+DMFT

TL;DR

This paper demonstrates that combining GW and DMFT methods with proper frequency-dependent interactions and nonlocal self-energy treatments yields an accurate electronic structure of SrVO$_{3}$, surpassing previous GW or LDA+DMFT approaches.

Contribution

The study introduces a comprehensive GW+DMFT approach with frequency-dependent Hubbard U and nonlocal self-energy for SrVO$_{3}$, providing a more accurate electronic structure analysis.

Findings

Accurate quasi-particle band structure of SrVO$_{3}$ obtained.

Satellite features correctly reproduced.

GW+DMFT results outperform GW and LDA+DMFT methods.

Abstract

We present a detailed calculation of the electronic structure of SrVO$_{3}$ based on the GW+DMFT method. We show that a proper inclusion of the frequency-dependent Hubbard U and the nonlocal self-energy via the GW approximation, as well as a careful treatment of the Fermi level, are crucial for obtaining an accurate and coherent picture of the quasi-particle band structure and satellite features of SrVO$_{3}$. The GW+DMFT results for SrVO$_{3}$ are not attainable within the GW approximation or the LDA+DMFT scheme.