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Cluster coherent potential approximation for electronic structure of disordered alloys

M. S. Laad·L. Craco
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Abstract

We extend the single-site coherent potential approximation (CPA) to include the effects of non-local disorder correlations (alloy short-range order) on the electronic structure of random alloy systems. This is achieved by mapping the original Anderson disorder problem to that of a selfconsistently embedded cluster. This cluster problem is then solved using the equations of motion technique. The CPA is recovered for cluster size $N_{c}=1$, and the disorder averaged density-of-states (DOS) is always positive definite. Various new features, compared to those observed in CPA, and related to repeated scattering on pairs of sites, reflecting the effect of SRO are clearly visible in the DOS. It is explicitly shown that the cluster-CPA method always yields positive-definite DOS. Anderson localization effects have been investigated within this approach. In general, we find that Anderson localization sets in before band splitting occurs, and that increasing partial order drives a continuous transition from an Anderson insulator to an incoherent metal.

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M. S. Laad, L. Craco. 2004-09-01. Cluster coherent potential approximation for electronic structure of disordered alloys. https://doi.org/10.1088/0953-8984%2F17%2F30%2F004

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