Ebert, Hubert and Koedderitzsch, Diemo and Minar, Jan (2011) Calculating condensed matter properties using the KKR-Green's function method—recent developments and applications. Reports on Progress in Physics 74 (9), p. 96501.
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The modern version of the KKR (Korringa–Kohn–Rostoker) method represents the electronic structure of a system directly and efficiently in terms of its single-particle Green's function (GF). This is in contrast to its original version and many other traditional wave-function-based all-electron band structure methods dealing with periodically ordered solids. Direct access to the GF results in several appealing features. In addition, a wide applicability of the method is achieved by employing multiple scattering theory. The basic ideas behind the resulting KKR-GF method are outlined and the different techniques to deal with the underlying multiple scattering problem are reviewed. Furthermore, various applications of the KKR-GF method are reviewed in some detail to demonstrate the remarkable flexibility of the approach. Special attention is devoted to the numerous developments of the KKR-GF method, that have been contributed in recent years by a number of work groups, in particular in the following fields: embedding schemes for atoms, clusters and surfaces, magnetic response functions and anisotropy, electronic and spin-dependent transport, dynamical mean field theory, various kinds of spectroscopies, as well as first-principles determination of model parameters.
|Date:||12 August 2011|
|Projects:||SFB 689: Spinphänomene in reduzierten Dimensionen|
|Keywords:||Condensed matter: electrical, magnetic and optical|
|Subjects:||500 Science > 530 Physics|
|Refereed:||Yes, this version has been refereed|
|Created at the University of Regensburg:||No|
|Deposited On:||15 May 2012 12:30|
|Last Modified:||15 May 2012 12:30|