Zusammenfassung
We present a first-principles approach to describe electronic transport of disordered alloys in a material specific way. The electronic structure is represented in terms of the relativistic multiple scattering KKR-Green function. Disorder with possible inclusion of short-ranged order effects is taken into account by the coherent-potential approximation or its non-local formulation. A salient ...
Zusammenfassung
We present a first-principles approach to describe electronic transport of disordered alloys in a material specific way. The electronic structure is represented in terms of the relativistic multiple scattering KKR-Green function. Disorder with possible inclusion of short-ranged order effects is taken into account by the coherent-potential approximation or its non-local formulation. A salient feature of the presented method is the possibility to combine it with a linear response Kubo framework, allowing for a detailed investigation of many transport phenomena which are of immediate relevance for applications in which electrons and/or their spin are manipulated. This is illustrated by several examples and developments, among them the description of the residual resistivity of K-state- and ferromagnetic alloys. Inclusion of relativistic effects by using the Dirac-formalism represents the basis to deal with the anomalous Hall effect and to derive a relativistic spin-projection scheme for currents.
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