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Screened exchange dynamical mean-field theory and its relation to density functional theory: SrVO3and SrTiO3

  • Institute of Physics Chinese Academy of Sciences
  • CNRS
  • Collège de France
  • European Theoretical Synchrotron Facility - Europe
  • Kavli Institute for Theoretical Physics

Research output: Contribution to journal › Article › peer-review

26 Citations (Scopus)

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.

Original languageEnglish
Article number57003
JournalEPL
Volume108
Issue number5
DOIs
Publication statusPublished - 1 Dec 2014

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