Effective on-site interaction for dynamical mean-field theory

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

Research output: Contribution to journalArticle

40 Citations (Scopus)

Abstract

A scheme to incorporate nonlocal polarizations into the dynamical mean-field theory (DMFT) and a tailor-made 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
JournalPhysical Review B - Condensed Matter and Materials Physics
Volume86
Issue number8
DOIs
Publication statusPublished - 2012 Aug 14
Externally publishedYes

ASJC Scopus subject areas

  • Electronic, Optical and Magnetic Materials
  • Condensed Matter Physics

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  • Cite this

    Nomura, Y., Kaltak, M., Nakamura, K., Taranto, C., Sakai, S., Toschi, A., Arita, R., Held, K., Kresse, G., & Imada, M. (2012). Effective on-site interaction for dynamical mean-field theory. Physical Review B - Condensed Matter and Materials Physics, 86(8), [085117]. https://doi.org/10.1103/PhysRevB.86.085117