Full-Potential Screened Korringa-Kohn-Rostoker Method and Its Applications
We review the recent development of the full-potential screened Koringa-Kohn-Rostoker (KKR) Green's function method. Although both the full potential KKR and screened KKR were proposed many years ago, their application to general situation has started only recently. Several important improvements that have been essential for this wide applicability are presented. As applications, we show the results of the calculation of the electric field gradients and electronic structure of the pyrite-type mixed crystals, Al/GaN interfaces and Fe/Cr/Fe multilayers.
Keywords: FULL POTENTIAL KKR; KORRINGA-KOHN-ROSTOKER METHOD; SCREENED KKR
Document Type: Review Article
Publication date: 01 December 2009
- Journal of Computational and Theoretical Nanoscience is an international peer-reviewed journal with a wide-ranging coverage, consolidates research activities in all aspects of computational and theoretical nanoscience into a single reference source. This journal offers scientists and engineers peer-reviewed research papers in all aspects of computational and theoretical nanoscience and nanotechnology in chemistry, physics, materials science, engineering and biology to publish original full papers and timely state-of-the-art reviews and short communications encompassing the fundamental and applied research.
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