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Title: Electronic friction in interacting systems

Abstract

We consider the effects of strong light-matter interaction on electronic friction in molecular junctions within the generic model of a single molecule nanocavity junction. Results of the Hubbard nonequilibrium Green function (NEGF) simulations are compared with mean-field NEGF and generalized Head-Gordon and Tully (HGT) approaches. Mean-field NEGF is shown to fail qualitatively at strong intrasystem interactions, while accuracy of the generalized HGT results is restricted to situations of well separated intramolecular excitations when bath induced coherences are negligible. Numerical results show effects of bias and cavity mode pumping on electronic friction. Here, we demonstrate nonmonotonic behavior of the friction on the bias and intensity of the pumping field and indicate possibility of engineering friction control in single molecule junctions.

Authors:
ORCiD logo [1]; ORCiD logo [1]; ORCiD logo [1]
  1. Univ. of California San Diego, La Jolla, CA (United States)
Publication Date:
Research Org.:
Univ. of California, San Diego, CA (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
OSTI Identifier:
1510264
Alternate Identifier(s):
OSTI ID: 1510162
Grant/Contract Number:  
SC0018201
Resource Type:
Journal Article: Accepted Manuscript
Journal Name:
Journal of Chemical Physics
Additional Journal Information:
Journal Volume: 150; Journal Issue: 17; Journal ID: ISSN 0021-9606
Publisher:
American Institute of Physics (AIP)
Country of Publication:
United States
Language:
English
Subject:
77 NANOSCIENCE AND NANOTECHNOLOGY; non adiabatic molecular dynamics; electronic friction; Head-Gordon and Tully expression; Hubbard nonequilibrium Green's functions

Citation Formats

Chen, Feng, Miwa, Kuniyuki, and Galperin, Michael. Electronic friction in interacting systems. United States: N. p., 2019. Web. doi:10.1063/1.5095425.
Chen, Feng, Miwa, Kuniyuki, & Galperin, Michael. Electronic friction in interacting systems. United States. https://doi.org/10.1063/1.5095425
Chen, Feng, Miwa, Kuniyuki, and Galperin, Michael. 2019. "Electronic friction in interacting systems". United States. https://doi.org/10.1063/1.5095425. https://www.osti.gov/servlets/purl/1510264.
@article{osti_1510264,
title = {Electronic friction in interacting systems},
author = {Chen, Feng and Miwa, Kuniyuki and Galperin, Michael},
abstractNote = {We consider the effects of strong light-matter interaction on electronic friction in molecular junctions within the generic model of a single molecule nanocavity junction. Results of the Hubbard nonequilibrium Green function (NEGF) simulations are compared with mean-field NEGF and generalized Head-Gordon and Tully (HGT) approaches. Mean-field NEGF is shown to fail qualitatively at strong intrasystem interactions, while accuracy of the generalized HGT results is restricted to situations of well separated intramolecular excitations when bath induced coherences are negligible. Numerical results show effects of bias and cavity mode pumping on electronic friction. Here, we demonstrate nonmonotonic behavior of the friction on the bias and intensity of the pumping field and indicate possibility of engineering friction control in single molecule junctions.},
doi = {10.1063/1.5095425},
url = {https://www.osti.gov/biblio/1510264}, journal = {Journal of Chemical Physics},
issn = {0021-9606},
number = 17,
volume = 150,
place = {United States},
year = {2019},
month = {5}
}

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Free Publicly Available Full Text
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Cited by: 4 works
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Works referencing / citing this record:

Special topic on dynamics of open quantum systems
journal, January 2020