Lead geometry and transport statistics in molecular junctions

Michael Ridley, Emanuel Gull, Guy Cohen

Research output: Contribution to journalArticlepeer-review

Abstract

We present a numerically exact study of charge transport and its fluctuations through a molecular junction driven out of equilibrium by a bias voltage, using the inchworm quantum Monte Carlo method. After showing how the technique can be used to address any lead geometry, we concentrate on one dimensional chains as an example. The finite bandwidth of the leads is shown to affect transport properties in ways that cannot be fully captured by quantum master equations: in particular, we reveal an interaction-induced broadening of transport channels that is visible at all voltages and show how fluctuations of the current are a more sensitive probe of this effect than the mean current.

Original languageEnglish
Article number244107
JournalJournal of Chemical Physics
Volume150
Issue number24
DOIs
StatePublished - 28 Jun 2019

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