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Generalized input-output method to quantum transport junctions. Ⅰ. General formulation

机译：量子传输结的广义输入输出方法。 Ⅰ。一般配方

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摘要

The interaction of electrons with atomic motion critically influences charge transport properties in molecular conducting junctions and quantum dot systems, and it is responsible for a plethora of transport phenomena. Nevertheless, theoretical tools are still limited to treat simple model junctions in specific parameter regimes. In this paper, which forms the first paper of a series, we put forward a generalized input-output method (GIOM) for studying charge transport in molecular junctions accounting for strong electron-vibration interactions and including electronic and phononic environments. The method radically expands the scope of the input-output theory, which was originally put forward to treat quantum optic problems. Based on the GIOM, we derive a Langevin-type equation of motion for system operators, which possess a great generality and accuracy, and permits the derivation of a stationary charge current expression involving only two types of transfer rates. Furthermore, we devise the so-called polaron transport in electronic resonance approximation, which allows us to feasibly simulate electron dynamics in generic tight-binding models with strong electron-vibration interactions.
机译：电子具有原子运动的相互作用至关重要地影响分子传导结和量子点系统中的电荷传输性能，并且它负责血于运输现象。尽管如此，理论工具仍然限于对特定参数制度的简单模型结来处理。本文形成了一系列的第一纸，我们提出了一种广义输入输出方法（GIOM），用于研究分子结的电荷输送，占强电子振动相互作用，包括电子和张素环境。该方法从根本上扩大了输入 - 输出理论的范围，最初提出了对待量子视镜问题。基于GIOM，我们推出了系统运营商的LangeVin型运动方程，其具有很大的一般性和准确性，并且允许达到涉及两种类型的传输速率的静止充电电流表达式。此外，我们设计了电子共振近似的所谓的极性传输，这使我们可以在具有强的电子振动相互作用的通用紧密绑定模型中可行地模拟电子动力学。

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  • 来源
    《Physical review》 |2020年第15期|155406.1-155406.13|共13页
  • 作者

    Junjie Liu; Dvira Segal;

  • 作者单位

    Department of Chemistry and Centre for Quantum Information and Quantum Control University of Toronto 80 Saint George St. Toronto Ontario Canada M5S 3H6;

    Department of Chemistry and Centre for Quantum Information and Quantum Control University of Toronto 80 Saint George St. Toronto Ontario Canada M5S 3H6 Department of Physics 60 Saint George St. University of Toronto Toronto Ontario Canada M5S 1A7;

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