Regensburg 2007 – wissenschaftliches Programm

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MM: Fachverband Metall- und Materialphysik

MM 25: Electronic properties II

MM 25.2: Vortrag

Mittwoch, 28. März 2007, 15:00–15:15, H6

Effects of local interactions on transport through interfaces — •Frank Freimuth, Daniel Wortmann, and Stefan Blügel — Institut für Festkörperforschung, Forschungszentrum Jülich, Germany

The embedding technique provides a tool to calculate the Green function of the interface region of planar junctions suitable for application within DFT ab-initio studies of electronic transport. Our implementation of the embedding technique is based on the full-potential linearized augmented plane wave (FLAPW) method which does not make any approximations to the potential. In this talk, we give an outline of how the local Coulomb interaction may be taken into account within the embedding Green function approach through the local contribution to the self-energy. Wannier functions constructed from the DFT Bloch states of the interface provide a localized set of basis functions adequate for the calculation of many-body effects using many-body techniques formulated for lattice systems.