Frequency-dependent local interactions and low-energy effective models from electronic structure calculations

2004/01/30 by F. Aryasetiawan, M. Imada, Masatoshi Imada +7 · 4 citations
Materials Science · Physics and Astronomy · #Magnetic and transport properties of perovskites and related materials #Physics of Superconductivity and Magnetism #Rare-earth and actinide compounds #cond-mat.str-el

paper · pdf · doi:10.1103/physrevb.70.195104

published as Phys. Rev. B 70, 195104 (2004) · 16 pages, 5 figures

arxiv created 2004/01/30 · openalex publication_date 2004/11/11 · arxiv updated 2009/12/01 · openalex created_date 2016/06/24 · openalex updated_date 2026/08/02

Abstract

We propose a systematic procedure for constructing effective models of strongly correlated materials. The parameters, in particular the on-site screened Coulomb interaction U, are calculated from first principles, using the random-phase approximation. We derive an expression for the frequency-dependent U(\ensuremathω) and show, for the case of nickel, that its high-frequency part has significant influence on the spectral functions. We propose a scheme for taking into account the energy dependence of U(\ensuremathω), so that a model with an energy-independent local interaction can still be used for low-energy properties.

Citations

• New Method for Calculating the One-Particle Green's Function with Application to the Electron-Gas Problem
• The GW method
• Density-functional calculation of effective Coulomb interactions in metals

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