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Title: Coherent quantum transport in disordered systems: A unified polaron treatment of hopping and band-like transport

Abstract

Quantum transport in disordered systems is studied using a polaron-based master equation. The polaron approach is capable of bridging the results from the coherent band-like transport regime governed by the Redfield equation to incoherent hopping transport in the classical regime. Additionally, a non-monotonic dependence of the diffusion coefficient is observed both as a function of temperature and system-phonon coupling strength. In the band-like transport regime, the diffusion coefficient is shown to be linearly proportional to the system-phonon coupling strength and vanishes at zero coupling due to Anderson localization. In the opposite classical hopping regime, we correctly recover the dynamics described by the Fermi’s Golden Rule and establish that the scaling of the diffusion coefficient depends on the phonon bath relaxation time. In both the hopping and band-like transport regimes, it is demonstrated that at low temperature, the zero-point fluctuations of the bath lead to non-zero transport rates and hence a finite diffusion constant. Lastly, application to rubrene and other organic semiconductor materials shows a good agreement with experimental mobility data.

Authors:
 [1];  [2];  [2]
  1. Massachusetts Inst. of Technology (MIT), Cambridge, MA (United States); National Univ. of Singapore (Singapore)
  2. Massachusetts Inst. of Technology (MIT), Cambridge, MA (United States)
Publication Date:
Research Org.:
Massachusetts Inst. of Technology (MIT), Cambridge, MA (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
OSTI Identifier:
1546992
Alternate Identifier(s):
OSTI ID: 1228308
Grant/Contract Number:  
SC0001088
Resource Type:
Accepted Manuscript
Journal Name:
Journal of Chemical Physics
Additional Journal Information:
Journal Volume: 142; Journal Issue: 16; Journal ID: ISSN 0021-9606
Publisher:
American Institute of Physics (AIP)
Country of Publication:
United States
Language:
English
Subject:
71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS; 37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY

Citation Formats

Lee, Chee Kong, Moix, Jeremy, and Cao, Jianshu. Coherent quantum transport in disordered systems: A unified polaron treatment of hopping and band-like transport. United States: N. p., 2015. Web. doi:10.1063/1.4918736.
Lee, Chee Kong, Moix, Jeremy, & Cao, Jianshu. Coherent quantum transport in disordered systems: A unified polaron treatment of hopping and band-like transport. United States. doi:10.1063/1.4918736.
Lee, Chee Kong, Moix, Jeremy, and Cao, Jianshu. Fri . "Coherent quantum transport in disordered systems: A unified polaron treatment of hopping and band-like transport". United States. doi:10.1063/1.4918736. https://www.osti.gov/servlets/purl/1546992.
@article{osti_1546992,
title = {Coherent quantum transport in disordered systems: A unified polaron treatment of hopping and band-like transport},
author = {Lee, Chee Kong and Moix, Jeremy and Cao, Jianshu},
abstractNote = {Quantum transport in disordered systems is studied using a polaron-based master equation. The polaron approach is capable of bridging the results from the coherent band-like transport regime governed by the Redfield equation to incoherent hopping transport in the classical regime. Additionally, a non-monotonic dependence of the diffusion coefficient is observed both as a function of temperature and system-phonon coupling strength. In the band-like transport regime, the diffusion coefficient is shown to be linearly proportional to the system-phonon coupling strength and vanishes at zero coupling due to Anderson localization. In the opposite classical hopping regime, we correctly recover the dynamics described by the Fermi’s Golden Rule and establish that the scaling of the diffusion coefficient depends on the phonon bath relaxation time. In both the hopping and band-like transport regimes, it is demonstrated that at low temperature, the zero-point fluctuations of the bath lead to non-zero transport rates and hence a finite diffusion constant. Lastly, application to rubrene and other organic semiconductor materials shows a good agreement with experimental mobility data.},
doi = {10.1063/1.4918736},
journal = {Journal of Chemical Physics},
number = 16,
volume = 142,
place = {United States},
year = {2015},
month = {4}
}

Journal Article:
Free Publicly Available Full Text
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Cited by: 14 works
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Works referenced in this record:

Intrinsic Charge Transport on the Surface of Organic Semiconductors
journal, August 2004


Elastomeric Transistor Stamps: Reversible Probing of Charge Transport in Organic Crystals
journal, March 2004

  • Sundar, Vikram C.; Zaumseil, Jana; Podzorov, Vitaly
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