Effective on-site interaction for dynamical mean-field theory

2012/05/13 by Yusuke Nomura, Merzuk Kaltak, Kazuma Nakamura +8 · 78 citations
Materials Science · Mathematics · Physics and Astronomy · #Computer science #Density functional theory #Dynamical mean field theory #Effective field theory #Electronic and Structural Properties of Oxides #Field (mathematics) #Hubbard model #Interaction model #Mathematical analysis #Mathematics #Mean field theory #Physics #Physics of Superconductivity and Magnetism #Quantum and electron transport phenomena #Quantum mechanics #Scheme (mathematics) #Statistical physics #Superconductivity #Theoretical physics #Weak interaction #cond-mat.str-el

paper · pdf · doi:10.1103/physrevb.86.085117

published in Physical Review B 86(8) (American Physical Society) · 5 pages, 2 figures. Supplemental Material:5 pages, 1 figure

arxiv created 2012/05/13 · openalex publication_date 2012/08/14 · arxiv updated 2012/08/15 · openalex created_date 2016/06/24 · openalex updated_date 2026/08/05

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.

Citations

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