First-principles calculation of the effects of partial alloy disorder on the static and dynamic magnetic properties of Co2MnSi
Résumé
On the basis of fully relativistic Korringa-Kohn-Rostoker calculations and in conjunction with the coherent potential approximation and the linear response formalism, we present a complete ab initio study of the influence of alloy disorder on the static and dynamic (Gilbert damping) magnetic properties and on the electronic structure of the half-metallic full-Heusler alloy Co2MnSi. We discuss in particular partial atomic disorders intermediate between the main crystal phases L21, B2, A2, and D03 of this alloy. We compare our results with homemade experiments and measurements from the literature, and conclude that the presence of a partial D03-like disorder could explain the relatively high value of the Gilbert damping parameter and the lack of half-metallicity measured in real samples, in which alloy disorder cannot be totally avoided.
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