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LDA++ approach to the electronic structure of magnets: correlation effects in iron

1998/08/10 by M. I. Katsnelson, A. I. Lichtenstein · 2 citations
Materials Science · Physics and Astronomy · #Iron-based superconductors research #Physics of Superconductivity and Magnetism #Rare-earth and actinide compounds #cond-mat.str-el

paper · pdf · doi:10.1088/0953-8984/11/4/011

Submitted to JPCM, 19 pages, 4 eps-figures included

arxiv created 1998/08/10 · openalex publication_date 1999/01/01 · arxiv updated 2009/11/30 · openalex created_date 2025/10/10 · openalex updated_date 2026/07/28

Abstract

A novel approach to investigation of correlation effects in the electronic structure of magnetic crystals which takes into account a frequency dependence of the self energy (so called ``LDA++ approach'') is developed. The fluctuation exchange approximation is generalized to the spin-polarized multi-band case and its local version is proposed. As an example, we calculate the electronic quasiparticle spectrum of ferromagnetic iron. It is shown that the Fermi liquid description of the bands near the Fermi level is reasonable, while the quasiparticle states beyond approximately 1 eV range are strongly damped, in agreement with photoemission data. The result of the spin-polarized thermoemission experiment is explained satisfactory. The problem of satellite structure is discussed.

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