Iterative summation of path integrals for nonequilibrium molecular quantum transport

作者:Huetzen R*; Weiss S; Thorwart M; Egger R
来源:Physical Review B, 2012, 85(12): 121408.
DOI:10.1103/PhysRevB.85.121408

摘要

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.

  • 出版日期2012-3-19