Dresden 2011 – wissenschaftliches Programm
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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 Schön1,2 — 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)