Iterative summation of path integrals for nonequilibrium molecular quantum transport

Details Iterative summation of path integrals for nonequilibrium molecular quantum transport Iterative summation of path integrals for nonequilibrium molecular quantum transport

2012-01-31

arxiv.org/abs/1201.6466v1

Phys. Rev. B 85, 121408(R) (2012)

Physics

Condensed Matter

Mesoscale and Nanoscale Physics

4 pages, 4 figures

Scientific paper

10.1103/PhysRevB.85.121408

We formulate and apply a nonperturbative numerical approach to the nonequilibrium current, $I(V)$, 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 $IV$ curve.

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