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

ARYASETIAWAN, F ; IMADA, M ; GEORGES, A ; KOTLIAR, G ; BIERMANN, S ; LICHTENSTEIN, A. I

Physical review. B, Condensed matter and materials physics, 2004-11, Vol.70 (19), p.195104.1-195104.8, Article 195104 [Periódico revisado por pares]

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Título:
Frequency-dependent local interactions and low-energy effective models from electronic structure calculations
Autor: ARYASETIAWAN, F ; IMADA, M ; GEORGES, A ; KOTLIAR, G ; BIERMANN, S ; LICHTENSTEIN, A. I
Assuntos: Condensed Matter ; Condensed matter: electronic structure, electrical, magnetic, and optical properties ; Electron states ; Exact sciences and technology ; Other ; Physics ; Theories and models of many electron systems
É parte de: Physical review. B, Condensed matter and materials physics, 2004-11, Vol.70 (19), p.195104.1-195104.8, Article 195104
Descrição: 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 GW approximation. We derive an expression for the frequency-dependent U and show 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, so that a model with an energy-independent local interaction can still be used for low-energy properties.
Editor: Ridge, NY: American Physical Society
Idioma: Inglês

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