Effects of charge-dependent vibrational frequencies and anharmonicities in transport through molecules

Details Effects of charge-dependent vibrational frequencies and anharmonicities in transport through molecules Effects of charge-dependent vibrational frequencies and anharmonicities in transport through molecules

2005-07-30

arxiv.org/abs/cond-mat/0508011v1

Phys. Rev. B 72, 113308 (2005)

Physics

Condensed Matter

Mesoscale and Nanoscale Physics

4+ pages, 3 figures; accepted for publication in Phys. Rev. B. (Brief Reports)

Scientific paper

10.1103/PhysRevB.72.113308

As a step towards a more realistic modeling of vibrations in single-molecule devices, we investigate the effects of charge-dependent vibrational frequencies and anharmonic potentials on electronic transport. For weak phonon relaxation, we find that in both cases vibrational steps split into a multitude of substeps. This effectively leads to a bias-dependent broadening of vibrational features in current-voltage and conductance characteristics, which provides a fingerprint of nonequilibrium vibrations whenever other broadening mechanisms are secondary. In the case of an asymmetric molecule-lead coupling, we observe that frequency differences can also cause negative differential conductance.

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