Karl Franzens University Graz
Graz University of Technology
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Karl Franzens University Graz | Graz University of Technology | |
A self-consistent relativistic implementation of the LSDA-DMFT (Dynamical Mean Field Theory) method to deal with correlation effects in magnetic solids The use of the local spin density approximation (LSDA) to spin density functional theory (SDFT) leads to limitations concerning its application in particular when pronounced correlation effects show up. Quite a number of schemes have been developed during the last decades that should allow to remove these problems either within SDFT or leaving that framework. Among the latter schemes the combination of the LSDA with the dynamical mean field theory (DMFT) proved to be very successful when applied to a wide range of solid state systems. A brief introduction on the main ideas and features of the LSDA + DMFT is given together with a description of some practical aspects. Concerning an implementation of the LSDA + DMFT scheme emphasize is put on a combination with the KKR (Korringa-Kohn-Rostoker) band structure method, as this results in a most flexible approach. This is demonstrated by a number of applications on the electronic, magnetic and spectroscopic properties of various transition metal systems. |