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Title: Dissipative time-dependent quantum transport theory: Quantum interference and phonon induced decoherence dynamics

Abstract

A time-dependent inelastic electron transport theory for strong electron-phonon interaction is established via the equations of motion method combined with the small polaron transformation. In this work, the dissipation via electron-phonon coupling is taken into account in the strong coupling regime, which validates the small polaron transformation. The corresponding equations of motion are developed, which are used to study the quantum interference effect and phonon-induced decoherence dynamics in molecular junctions. Numerical studies show clearly quantum interference effect of the transport electrons through two quasi-degenerate states with different couplings to the leads. We also found that the quantum interference can be suppressed by the electron-phonon interaction where the phase coherence is destroyed by phonon scattering. This indicates the importance of electron-phonon interaction in systems with prominent quantum interference effect.

Authors:
;  [1];  [1]
  1. Department of Chemistry, The University of Hong Kong, Pokfulam Road, Hong Kong (China)
Publication Date:
OSTI Identifier:
22415693
Resource Type:
Journal Article
Journal Name:
Journal of Chemical Physics
Additional Journal Information:
Journal Volume: 142; Journal Issue: 16; Other Information: (c) 2015 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA); Journal ID: ISSN 0021-9606
Country of Publication:
United States
Language:
English
Subject:
71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS; ELECTRIC CONTACTS; ELECTRON-PHONON COUPLING; ELECTRONS; EQUATIONS OF MOTION; INTERFERENCE; NUMERICAL ANALYSIS; PHONONS; POLARONS; QUANTUM DECOHERENCE; SCATTERING; SEMICONDUCTOR JUNCTIONS; TIME DEPENDENCE; TRANSFORMATIONS; TRANSPORT THEORY

Citation Formats

Zhang, Yu, Chen, GuanHua, Yam, ChiYung, and Beijing Computational Science Research Center, Beijing 100084. Dissipative time-dependent quantum transport theory: Quantum interference and phonon induced decoherence dynamics. United States: N. p., 2015. Web. doi:10.1063/1.4918771.
Zhang, Yu, Chen, GuanHua, Yam, ChiYung, & Beijing Computational Science Research Center, Beijing 100084. Dissipative time-dependent quantum transport theory: Quantum interference and phonon induced decoherence dynamics. United States. doi:10.1063/1.4918771.
Zhang, Yu, Chen, GuanHua, Yam, ChiYung, and Beijing Computational Science Research Center, Beijing 100084. Tue . "Dissipative time-dependent quantum transport theory: Quantum interference and phonon induced decoherence dynamics". United States. doi:10.1063/1.4918771.
@article{osti_22415693,
title = {Dissipative time-dependent quantum transport theory: Quantum interference and phonon induced decoherence dynamics},
author = {Zhang, Yu and Chen, GuanHua and Yam, ChiYung and Beijing Computational Science Research Center, Beijing 100084},
abstractNote = {A time-dependent inelastic electron transport theory for strong electron-phonon interaction is established via the equations of motion method combined with the small polaron transformation. In this work, the dissipation via electron-phonon coupling is taken into account in the strong coupling regime, which validates the small polaron transformation. The corresponding equations of motion are developed, which are used to study the quantum interference effect and phonon-induced decoherence dynamics in molecular junctions. Numerical studies show clearly quantum interference effect of the transport electrons through two quasi-degenerate states with different couplings to the leads. We also found that the quantum interference can be suppressed by the electron-phonon interaction where the phase coherence is destroyed by phonon scattering. This indicates the importance of electron-phonon interaction in systems with prominent quantum interference effect.},
doi = {10.1063/1.4918771},
journal = {Journal of Chemical Physics},
issn = {0021-9606},
number = 16,
volume = 142,
place = {United States},
year = {2015},
month = {4}
}