论文标题
纳米系统中电流诱导的力：运动方法的层次方程
Current-induced forces in nanosystems: A hierarchical equations of motion approach
论文作者
论文摘要
引入了一种新方法来计算电流诱导的通过纳米系统的电荷运输力。从运动形式主义的完全量子机械分层方程式开始，电子和振动自由度之间的时间尺度分离用于从受电流诱导的力（例如电子摩擦）影响的振动动力学的经典兰格文文方程。摩擦的产生形式被证明等同于先前派生的表达式。然而，运动方法的层次方程的数值精确性允许研究具有强大的内部和系统环境相互作用的运输方案。作为演示，计算和分析了三个示例系统的电子摩擦：一个与一个经典振动模式耦合的单个电子水平，两个电子水平耦合到一个经典振动模式，以及一个与经典振动和量子振动模式耦合的单个电子水平。
A new approach to calculating current-induced forces in charge transport through nanosystems is introduced. Starting from the fully quantum mechanical hierarchical equations of motion formalism, a timescale separation between electronic and vibrational degrees of freedom is used to derive a classical Langevin equation of motion for the vibrational dynamics as influenced by current-induced forces, such as the electronic friction. The resulting form of the friction is shown to be equivalent to previously derived expressions. The numerical exactness of the hierarchical equations of motion approach, however, allows the investigation of transport scenarios with strong intrasystem and system-environment interactions. As a demonstration, the electronic friction of three example systems is calculated and analyzed: a single electronic level coupled to one classical vibrational mode, two electronic levels coupled to one classical vibrational mode, and a single electronic level coupled to both a classical and quantum vibrational mode.
