Berlin 2008 – scientific programme

Parts | Days | Selection | Search | Downloads | Help

TT: Fachverband Tiefe Temperaturen

TT 14: Transport: Nanoelectronics III - Molecular Electronics

TT 14.11: Talk

Tuesday, February 26, 2008, 12:15–12:30, H 3010

Vibrational Effects in Electron Transport through Molecular Junctions — •Rainer Härtle, Claudia Benesch, and Michael Thoss — Institut für Theoretische Chemie, Technische Universität München, D-85747 Garching, Germany

We investigate theoretically the role of vibrations in electron transport through single molecule junctions. The study is based on a generic model, which describes steady-state transport through a single molecule that is attached to metal leads. To address multidimensional vibrational dynamics in molecular junctions, we have extended the non-equilibrium Green function approach established by M. Galperin et al. to multiple modes. We demonstrate the effect of electronically induced coupling between different vibrational modes and study the stability of these junctions by calculating the vibrational excitations as a function of the bias voltage. In addition to a model system with two vibrational degrees of freedom, we present results for p-benzene-di(butanethiolate) covalently bound to gold electrodes.