Abstract

The electronic and magnetic properties of pyrite-type mixed crystalsM1−xMx′S2 (M, M′ = Fe,Co,Ni) were investigated by use of the full-potential Korringa–Kohn–Rostoker (KKR) methodcombined with the coherent potential approximation (CPA). The results well explain thesystematic behaviour of these systems as long as they are in a metallic phase. It is alsoconcluded that the full-potential treatment is necessary to describe these anisotropicsystems.

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