中文摘要：

提出了一种数值模拟方法,用于研究准一维碳纳米管系统的含时输运特性。基于非平衡格林函数,通过提出的方法,对准一维碳纳米管系统的电学性质进行数值计算。计算结果显示：当同一连续方波作用于电极时,电极与碳纳米管之间的耦合能越大,电流的最初上升值越大,弛豫时间越短;当输入电压为低频正弦信号,响应电流曲线变得不规则。本仿真结果有利于对纳米材料电学性质的评估,为纳米电子器件的设计和优化提供理论指导。

英文摘要：

In this paper, a numerical simulation method for studying the time-dependent transport properties of a quasi-one-dimensional carbon nanotube system is provided. Due to the non-equilibrium Green＇s function（NEGF）, this approach effectively calculates the electrical properties of a quasi-one-di- mensional carbon nanotube system. In this paper, the results are showed the greater coupling between the electrode and the carbon nanotubes, the steeper initial current rising, and the smaller relaxation time when a continuous square pulse voltage is injected into the lead. When the frequency of input sinusoidal is low, the current curve becomes irregular. The simulation results will be in favor of both evaluating the electri- cal properties of nano-materials and providing theoretical guidance for design and optimization of the nano- electronic devices.