Abstract

The relativistic spin-polarized scheme of the electron spectrum calculation in crystal within the framework of the relativistic variant of the Korringa-Kohn-Rostoker method is realized. The technique proposed is used to calculate the electron bands and density of states of ferromagnetic iron. The crystallographic symmetry of the problem is investigated for the BCC lattice. The role of the exchange and spin-orbit interactions in forming the band structure of ferromagnetic iron are discussed.

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