English

Screened exchange dynamical mean field theory and its relation to density functional theory: SrVO3 and SrTiO3

Strongly Correlated Electrons 2014-12-30 v1

Abstract

We present the first application of a recently proposed electronic-structure scheme to transition metal oxides: screened exchange dynamical mean-field theory includes non-local exchange beyond the local density approximation and dynamical correlations beyond standard dynamical mean-field theory. Our results for the spectral function of SrVO3 are in agreement with the available experimental data, including photoemission spectroscopy and thermodynamics. Finally, the 3d0 compound SrTiO3 serves as a test case to illustrate how the theory reduces to the band structure of standard electronic-structure techniques for weakly correlated compounds.

Keywords

Cite

@article{arxiv.1412.7971,
  title  = {Screened exchange dynamical mean field theory and its relation to density functional theory: SrVO3 and SrTiO3},
  author = {Ambroise van Roekeghem and Silke Biermann},
  journal= {arXiv preprint arXiv:1412.7971},
  year   = {2014}
}

Comments

6 pages, 4 figures