Regensburg 2010 – wissenschaftliches Programm

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TT: Fachverband Tiefe Temperaturen

TT 36: TR: Poster Session

TT 36.10: Poster

Donnerstag, 25. März 2010, 14:00–18:00, Poster A

Transmission through metallic chains: Role of distortions and contact geometry — •Thomas Wunderlich, Berna Akgenc, Cosima Schuster, and Ulrich Eckern — Institus für Physik, Universität Augsburg, 86135, Germany

We present results of electronic structure and transport calculations for metallic chains, based on density functional theory and scattering theory combined with the the non-equilibrium Green's function technique. Starting from a simple model system of monovalent metallic chains we investigate the influence of distortions on the electronic structure and the transport properties of H and Li chains. Furthermore we calculate the electronic structure of Au chains which are contacted to leads via different geometries, and study the influence of the contact geometry on the transmission coefficient. In particular, we compare chains, pyramides and planes in the contact region. A comparison with analytical results is given.