Magnetic structure of FCC iron
1991
A generalization of the LMTO method for the case of crystals with spiral magnetic structure is suggested. The method is used for self-consistent calculations of electronic and magnetic properties of spiral magnetic configurations of FCC iron. The atomic volumes considered cover the region of known low-spin to high-spin transitions in ferromagnetic FCC iron. The dependence of electronic properties on the spiral vector and number of valence electrons is investigated. The total energy minimum corresponds to a non-collinear magnetic structure, in accordance with recent experimental data.
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