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arxiv: cond-mat/9910249 · v1 · submitted 1999-10-15 · ❄️ cond-mat.mtrl-sci

Electronic structure and magnetism of Fe_(3-x)V_(x)X (X = Si, Ga and Al) alloys by the KKR-CPA method

classification ❄️ cond-mat.mtrl-sci
keywords alloyselectronickkr-cpastructureapproximationcalculationscharge-coherent-potential
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We present first principles charge- and spin-selfconsistent electronic structure computations on the Heusler-type disordered alloys Fe$_{3-x}$V$_{x}$X 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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