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TT: Fachverband Tiefe Temperaturen

TT 38: Poster Session Transport

TT 38.22: Poster

Mittwoch, 16. März 2011, 14:00–18:00, P3

Inelastic transport through octane molecules and a single level model with light — •Thomas Hellmuth¹, Fabian Pauly¹, and Gerd Schön^1,2 — ¹Institut für Theoretische Festkörperphysik, Karlsruhe Institut of Technology (KIT) — ²Institut für Nanotechnologie, Karlsruhe Institut of Technology (KIT)

We study the transport and vibrational modes of single-molecule junctions containing octandeamine and octanedithiol. For this we use a scheme based on density functional theory. We compare our results to experiments and map the calculated vibrational modes to the measured IETS [1]. We show the substantially different behavior for the different terminal groups, namely the pulling of gold chains for dithiols, while they are absent for the dimanines. In addition to these studies, we explore the inelastic rectification current of a light irradiated single level contact.
Y. Kim, T. Hellmuth, F. Pauly, and E. Scheer (in preparation)