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Effective on-site interaction for dynamical mean-field theory

  • Yusuke Nomura (Corresponding author)
  • , Merzuk Kaltak
  • , Kazuma Nakamura
  • , Ciro Taranto
  • , Shiro Sakai
  • , Alessandro Toschi
  • , Ryotaro Arita
  • , Karsten Held
  • , Georg Kresse
  • , Masatoshi Imada

Publications: Contribution to journal › Article › Peer Reviewed

Abstract

A scheme to incorporate nonlocal polarizations into the dynamical mean-field theory (DMFT) and a tailormade way to determine the effective interaction for DMFT are systematically investigated. Applying it to the two-dimensional Hubbard model, we find that nonlocal polarizations induce a nontrivial filling-dependent antiscreening effect for the effective interaction. The present scheme combined with density functional theory offers an ab initio way to derive effective on-site interactions for the impurity problem in DMFT. We apply it to SrVO3 and find that the antiscreening competes with the screening caused by the off-site interaction.
Original languageEnglish
Article number085117
Number of pages8
JournalPhysical Review B
Volume86
Issue number8
DOIs
Publication statusPublished - 2012

Austrian Fields of Science 2012

  • 103009 Solid state physics
  • 103015 Condensed matter
  • 103025 Quantum mechanics
  • 103036 Theoretical physics

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