Vibrational Nonequilibrium Effects in the Conductance of Single Molecules with Multiple Electronic States

R. Härtle, C. Benesch, and M. Thoss
Phys. Rev. Lett. 102, 146801 – Published 7 April 2009

Abstract

Vibrational nonequilibrium effects in charge transport through single-molecule junctions are investigated. Focusing on molecular bridges with multiple electronic states, it is shown that electronic-vibrational coupling triggers a variety of vibronic emission and absorption processes, which influence the conductance properties and mechanical stability of single-molecule junctions profoundly. Employing a master equation and a nonequilibrium Green’s function approach, these processes are analyzed in detail for a generic model of a molecular junction and for benzenedibutanethiolate bound to gold electrodes.

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  • Received 19 September 2008

DOI:https://doi.org/10.1103/PhysRevLett.102.146801

©2009 American Physical Society

Authors & Affiliations

R. Härtle*, C. Benesch, and M. Thoss*

  • Department Chemie, Technische Universität München, Lichtenbergstrasse 4, D-85747 Garching, Germany

  • *Present address: Department für Physik, Universität Erlangen-Nürnberg, Staudtstrasse 7, D-91058 Erlangen, Germany.

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Issue

Vol. 102, Iss. 14 — 10 April 2009

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