In this work, we use the thermodynamically consistent and conserving self-energy embedding theory (SEET) to study the spectra of the prototypical undistorted cubic perovskites SrVO3 and SrMnO3. In the strongly correlated metallic SrVO3 we find that the usual attribution of the satellite peaks at -1.8eV to Hund or Hubbard physics in the t2g orbitals is inconsistent with our calculations. In the strongly correlated insulator SrMnO3 we recover insulating behavior due to a feedback effect between the strongly correlated orbitals and the weakly correlated environment. Our calculation shows a systematic convergence of spectral features as the space of strongly correlated orbitals is enlarged, paving the way to a systematic parameter free study of correlated perovskites.
@article{arxiv.2010.12628,
title = {Electron correlations in cubic paramagnetic perovskite Sr(V,Mn)O$_{3}$ -- Results from fully self-consistent self-energy embedding calculations},
author = {Chia-Nan Yeh and Sergei Iskakov and Dominika Zgid and Emanuel Gull},
journal= {arXiv preprint arXiv:2010.12628},
year = {2021}
}