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

Дата и время публикации : 1998-08-10T14:10:46Z

Авторы публикации и институты :
M. I. Katsnelson (Institute of Metal Physics, Ekaterinburg and Forschungszentrum Juelich)
A. I. Lichtenstein (Institute of Metal Physics, Ekaterinburg and Forschungszentrum Juelich)

Ссылка на журнал-издание: Ссылка на журнал-издание не найдена
Коментарии к cтатье: Submitted to JPCM, 19 pages, 4 eps-figures included
Первичная категория: cond-mat.str-el

Все категории : cond-mat.str-el

Краткий обзор статьи: 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.

Category: Physics