Berlin 2012 – scientific programme

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TT: Fachverband Tiefe Temperaturen

TT 13: Transport: Poster Session

TT 13.31: Poster

Monday, March 26, 2012, 15:00–19:00, Poster B

Time-dependent transport through fluctuating molecular wires — •Bogdan Popescu and Ulrich Kleinekathöfer — Jacobs University Bremen, Germany

In the present study, the electron transport through a quantum wire, modeled as a linear chain of tight-binding sites and coupled to external fermion leads, is investigated using several distinct formalisms: nonequilibrium Green’s functions [1], the hierarchical equations of motion approach [2] and by a perturbation expansion [3]. The first two methods are known to be exact for noninteracting fermions. Several accuracy and performance tests involving all three methods have been carried out for different configurations (site energy differences, voltages, temperatures). The propagation schemes are suited to be applied to investigate time-dependent transport through molecular wires, e.g., DNA molecules, where the on-site energies and next-neighbour couplings are time-dependent due to solvent fluctuations. First tests in this direction will be demonstrated.
A. Croy and U. Saalmann, Phys. Rev. B 80, 245311 (2009).
J. Jin, X. Zheng and Y. Yan, J. Chem. Phys. 128, 234703 (2008).
S. Welack, M. Schreiber and U. Kleinekathöfer, J. Chem. Phys. 124, 044712 (2006).