Effects of charge-dependent vibrational frequencies and anharmonicities in transport through molecules
arXiv:cond-mat/0508011 · doi:10.1103/PhysRevB.72.113308
Abstract
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.
4+ pages, 3 figures; accepted for publication in Phys. Rev. B. (Brief Reports)