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arXiv · 0812.0309

Vibrational nonequilibrium effects in the conductance of single-molecules with multiple electronic states

R. Härtle·C. Benesch·M. Thoss
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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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R. Härtle, C. Benesch, M. Thoss. 2008-12-01. Vibrational nonequilibrium effects in the conductance of single-molecules with multiple electronic states. https://doi.org/10.1103/physrevlett.102.146801

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