Dresden 2014 – wissenschaftliches Programm

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TT: Fachverband Tiefe Temperaturen

TT 101: Transport - Poster Session

TT 101.20: Poster

Donnerstag, 3. April 2014, 15:00–19:00, P2

Model study of nonadiabatic electronic-vibrational interactions in single-molecule junctions — •André Erpenbeck and Michael Thoss — Institut für Theoretische Physik, Friedrich-Alexander-Universität Erlangen- Nürnberg, Staudtstr. 7/B2, D-91058 Erlangen, Germany

The interaction between electronic and vibrational degrees of freedom in single-molecule junctions results from a dependence of the electronic energies on the nuclear displacement, but also from the dependence of the electronic states of the molecular bridge on the nuclear coordinates. The latter mechanism leads to a direct coupling between different electronic states and is referred to as nonadiabatic electronic-vibrational coupling. Employing a perturbative non-equilibrium Green's function approach, we study the influence of nonadiabatic electronic-vibrational coupling on the transport properties of model molecular junctions. In particular, we investigate the validity of the adiabatic approximation and show that nonadiabatic electronic-vibrational interaction gives rise to new transport channels. Furthermore, we explore the properties of nonadiabatic vibrational effects and their manifestation in observables such as the current-voltage characteristics.