Explanation of the similarity of the experimental photoemission spectra of SrVO3 and CaVO3

TL;DR

This study uses parameter-free LDA+DMFT calculations to analyze the electronic structures of SrVO3 and CaVO3, revealing their strong correlation as metals with similar photoemission spectra despite structural differences.

Contribution

It provides a theoretical explanation for the similarity in photoemission spectra of SrVO3 and CaVO3, challenging earlier conclusions and aligning with recent experiments.

Findings

Both materials are strongly correlated metals.

Their quasiparticle spectra are nearly identical.

The similarity persists despite structural differences.

Abstract

We present parameter-free LDA+DMFT results for the many-particle density of states of cubic SrVO3 and orthorhombic CaVO3. Both systems are found to be strongly correlated metals, but em not on the verge of a metal-insulator transition. In spite of the considerably smaller V-O-V bonding angle in CaVO3 the photoemission spectra of the two systems are very similar, their quasiparticle parts being almost identical. This is in contrast to earlier theoretical and experimental conclusions, but in agreement with recent bulk-sensitive photoemission experiments.