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

URN to cite this document:: urn:nbn:de:bvb:355-epub-196807
DOI to cite this document:: 10.5283/epub.19680

Tulip, P. R. ; Staunton, J. B. ; Lowitzer, Stephan ; Koedderitzsch, Diemo ; Ebert, Hubert

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Date of publication of this fulltext: 21 Feb 2011 08:00

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Abstract

We present an ab initio formalism for the calculation of transport properties in compositionally disordered systems within the framework of the Korringa-Kohn-Rostoker nonlocal coherent potential approximation. Our formalism is based on 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 ...