Electronic structure and magnetism of Fe3-xVxX (X = Si, Ga and Al) alloys by the KKR-CPA method
A. Bansil, S. Kaprzyk, P. E. Mijnarends, J. Toboła
Abstract
We present first principles charge- and spin-selfconsistent electronic structure computations on the Heusler-type disordered alloys Fe3-xVxX for three different metalloids X=(Si, Ga and Al). In these calculations we use the methodology based on the Korringa-Kohn- Rostoker formalism and the coherent-potential approximation (KKR-CPA), generalized to treat disorder in multi-component complex alloys.
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