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arxiv: 0712.2388 · v1 · submitted 2007-12-14 · ❄️ cond-mat.mtrl-sci · cond-mat.dis-nn

Theory of electronic transport in random alloys with short-range order: Korringa-Kohn-Rostoker non-local coherent potential approximation

classification ❄️ cond-mat.mtrl-sci cond-mat.dis-nn
keywords transportformalismorderpropertiesshort-rangeuponalloysapproximation
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We present an ab-initio formalism for the calculation of transport properties in compositionally disordered systems within the framework of the Korringa-Kohn-Rostoker non-local coherent potential approximation. Our formalism is based upon the single-particle Kubo-Greenwood linear response and provides a natural means of incorporating the effects of short-range order upon the transport properties. We demonstrate the efficacy of the formalism by examining the effects of short-range order and clustering upon the transport properties of disordered $AgPd$ and $CuZn$ alloys.

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