Vibrationally induced decoherence in single-molecule junctions

We investigate the interplay of quantum interference effects and electronic-vibrational coupling in electron transport through single-molecule junctions, employing a nonequilibrium Green's function approach. Our findings show that inelastic processes lead, in general, to a quenching of quantum...

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Bibliographic Details
Published in:Physical review. B, Condensed matter and materials physics Condensed matter and materials physics, 2013-02, Vol.87 (8), Article 085422
Main Authors: Härtle, R., Butzin, M., Thoss, M.
Format: Article
Language:English
Subjects:
Condensed matter
Contact
Electric potential
Quantum interference effects
Quenching
Signatures
Transport
Voltage
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Summary:We investigate the interplay of quantum interference effects and electronic-vibrational coupling in electron transport through single-molecule junctions, employing a nonequilibrium Green's function approach. Our findings show that inelastic processes lead, in general, to a quenching of quantum interference effects. This quenching is more pronounced for increasing bias voltages and levels of vibrational excitation. As a result of this vibrationally induced decoherence, vibrational signatures in the transport characteristics of a molecular contact may strongly deviate from a simple Franck-Condon picture. This includes signatures in both the resonant and the nonresonant transport regimes. Moreover, it is shown that local cooling by electron-hole pair creation processes can influence the transport characteristics profoundly, giving rise to a significant temperature dependence of the electrical current.
ISSN:1098-0121
1550-235X
DOI:10.1103/PhysRevB.87.085422