Propagation Scheme for Non-Equilibrium Dynamics of Electron Transport in Nanoscale Devices

TL;DR

This paper develops a new propagation scheme based on coupled equations of motion for analyzing time-dependent electron transport in nanoscale devices, accommodating finite temperatures and structured reservoirs.

Contribution

It introduces a novel auxiliary-mode expansion method enabling efficient simulation of non-equilibrium electron dynamics at finite temperatures.

Findings

Effective propagation scheme for finite-temperature electron transport

Ability to handle arbitrary time dependences and structured reservoirs

Validated with two illustrative examples

Abstract

A closed set of coupled equations of motion for the description of time-dependent electron transport is derived. It provides the time evolution of energy-resolved quantities constructed from non-equilibrium Green functions. By means of an auxiliary-mode expansion a viable propagation scheme for finite temperatures is obtained, which allows to study arbitrary time dependences and structured reservoirs. Two illustrative examples are presented.