Tulip, P.R. and Staunton, J.B. and Lowitzer, Stephan and Koedderitzsch, Diemo and Ebert, Hubert
Theory of electronic transport in random alloys with short-range order: Korringa-Kohn-Rostoker nonlocal coherent potential approximation.
Physical Review B (PRB) 77, p. 165116.
Other URL: http://link.aps.org/doi/10.1103/PhysRevB.77.165116
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 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.
|Date:||11 April 2008|
|Projects:||SFB 689: Spinphänomene in reduzierten Dimensionen|
|72.10.−d, 71.20.Be, 72.15.Eb ||PACS|
|Subjects:||500 Science > 530 Physics|
|Refereed:||Yes, this version has been refereed|
|Created at the University of Regensburg:||No|
|Deposited On:||21 Feb 2011 08:00|
|Last Modified:||21 Jul 2011 02:07|