Combining Real Space and Tight Binding Methods for Studying Large Metallic Systems
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In this paper some problems experienced during studies combining real space and tight binding methods are addressed. These methods have been mainly used for studying the magnetic properties of thin films deposited on substrates and of multilayers taking into account interfacial imperfections. This paper is illustrated with calculations of the electronic structure of Fe/Cr multilayered systems which are particularly interesting. First, the use of d and spd tight binding parameterisations of the electronic structure for transition metals and its relation to the recursion technique is discussed. Second, some advantages of using real space cells for studying complex systems are presented. Finally, the application of these methods for systems presenting non-collinear magnetism is discussed.
KeywordsReal Space Continuous Fraction Tight Binding Atomic Plane Continuous Fraction Expansion
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