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Title: Lead geometry and transport statistics in molecular junctions

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.

Authors:
 [1]; ORCiD logo [2]; ORCiD logo [3]
+ Show Author Affiliations
  1. Tel Aviv Univ., Tel Aviv (Israel)
  2. Univ. of Michigan, Ann Arbor, MI (United States); Flatiron Institute, New York, NY (United States)
  3. Tel Aviv Univ., Tel Aviv (Israel)
Publication Date:
Research Org.:
Univ. of Michigan, Ann Arbor, MI (United States)
Sponsoring Org.:
USDOE Office of Science (SC)
OSTI Identifier:
1611399
Alternate Identifier(s):
OSTI ID: 1529411
Grant/Contract Number:  
SC0010342; ER 46932
Resource Type:
Accepted Manuscript
Journal Name:
Journal of Chemical Physics
Additional Journal Information:
Journal Volume: 150; Journal Issue: 24; Journal ID: ISSN 0021-9606
Publisher:
American Institute of Physics (AIP)
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY; Chemistry; Physics; Many body problems; Electronic noise; Molecular electronic devices; Charge transport; Monte Carlo methods; Electronic transport; Signal processing; Transport properties

Citation Formats

Ridley, Michael, Gull, Emanuel, and Cohen, Guy. Lead geometry and transport statistics in molecular junctions. United States: N. p., 2019. Web. doi:10.1063/1.5096244.
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Ridley, Michael, Gull, Emanuel, & Cohen, Guy. Lead geometry and transport statistics in molecular junctions. United States. https://doi.org/10.1063/1.5096244
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Ridley, Michael, Gull, Emanuel, and Cohen, Guy. Tue . "Lead geometry and transport statistics in molecular junctions". United States. https://doi.org/10.1063/1.5096244. https://www.osti.gov/servlets/purl/1611399.
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@article{osti_1611399,
title = {Lead geometry and transport statistics in molecular junctions},
author = {Ridley, Michael and Gull, Emanuel and Cohen, Guy},
abstractNote = {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.},
doi = {10.1063/1.5096244},
journal = {Journal of Chemical Physics},
number = 24,
volume = 150,
place = {United States},
year = {Tue Jun 25 00:00:00 EDT 2019},
month = {Tue Jun 25 00:00:00 EDT 2019}
}
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https://doi.org/10.1063/1.5096244
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