Acad Sci Ussr Inst Chem Pervomaskaya 91 Sverdlovsk 620219 Ussr
Max Planck Inst Festkorperforsch W-7000 Stuttgart 80 Germany
Acad Sci Ussr Inst Met Phys Sverdlovsk 620219 Ussr

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.
 

JOURNAL OF PHYSICS-CONDENSED MATTER, 3 7683-7690, 1991.