Dresden 2011 – wissenschaftliches Programm

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MM: Fachverband Metall- und Materialphysik

MM 25: Topical Session Electron Theory II

MM 25.1: Topical Talk

Mittwoch, 16. März 2011, 14:30–15:00, IFW A

The LDA+DMFT approach to the electron theory of strongly correlated metals — •Frank Lechermann — I. Institut für Theoretische Physik, Universität Hamburg

A better understanding of the physics of realistic strongly correlated electron systems in the metallic state is one of the key ingredients in order to describe a wide range of novel solid state compounds. The complex competition between the localized and the itinerant character of interacting electrons in a manifestly multi-orbital scenario within a given (anisotropic) crystal structure is giving rise to highly interesting phenomena, such as, e.g., intricate magnetic behavior. By combining the dynamical mean-field theory (DMFT) with the local-density approximation (LDA) to density functional theory, a powerful many-body technique is established to tackle the given problem on a truly realistic level. Here the basics and the current status of the LDA+DMFT method as well as its possible future in the context of generic first-principles approaches beyond the realm of conventional exchange-correlation functionals will be discussed. On a technical level, the emphasis will be on the currently relevant interfacing steps between the Kohn-Sham band picture and the DMFT many-body representation. Results of selected materials studies will provide an insight into the high capability of the outlined framework.