Zhang Yu, Yam ChiYung, Chen GuanHua
Department of Chemistry, The University of Hong Kong, Pokfulam Road, Hong Kong, China.
J Chem Phys. 2015 Apr 28;142(16):164101. doi: 10.1063/1.4918771.
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.
通过运动方程方法结合小极化子变换，建立了一种适用于强电子 - 声子相互作用的含时非弹性电子输运理论。在这项工作中，考虑了强耦合 regime 中通过电子 - 声子耦合的耗散，这验证了小极化子变换。推导了相应的运动方程，用于研究分子结中的量子干涉效应和声子诱导的退相干动力学。数值研究清楚地表明了通过与引线具有不同耦合的两个准简并态的输运电子的量子干涉效应。我们还发现，电子 - 声子相互作用可以抑制量子干涉，其中声子散射破坏了相位相干性。这表明电子 - 声子相互作用在具有显著量子干涉效应的系统中的重要性。
