English

Iterative summation of path integrals for nonequilibrium molecular quantum transport

Mesoscale and Nanoscale Physics 2012-03-20 v1

Abstract

We formulate and apply a nonperturbative numerical approach to the nonequilibrium current, I(V)I(V), through a voltage-biased molecular conductor. We focus on a single electronic level coupled to an unequilibrated vibration mode (Anderson-Holstein model), which can be mapped to an effective three-state problem. Performing an iterative summation of real-time path integral (ISPI) expressions, we accurately reproduce known analytical results in three different limits. We then study the crossover regime between those limits and show that the Franck-Condon blockade persists in the quantum-coherent low-temperature limit, with a nonequilibrium smearing of step features in the IVIV curve.

Keywords

Cite

@article{arxiv.1201.6466,
  title  = {Iterative summation of path integrals for nonequilibrium molecular quantum transport},
  author = {R. Hützen and S. Weiss and M. Thorwart and R. Egger},
  journal= {arXiv preprint arXiv:1201.6466},
  year   = {2012}
}

Comments

4 pages, 4 figures