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

Journal Article · · Journal of Chemical Physics
DOI:https://doi.org/10.1063/1.4918771· OSTI ID:22415693
;  [1];  [1]
  1. Department of Chemistry, The University of Hong Kong, Pokfulam Road, Hong Kong (China)

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.

OSTI ID:
22415693
Journal Information:
Journal of Chemical Physics, Vol. 142, Issue 16; Other Information: (c) 2015 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA); ISSN 0021-9606
Country of Publication:
United States
Language:
English