中文摘要：

利用Landauer-Bttiker公式对金属导线/单臂纳米碳管/金属导线结构的热电传输进行理论计算.在有限温度梯度下,利用迭代法计算非线性热电势和热电导,研究表明,热电势和热电导与系统电子的传输行为密切相关,热电势随系统化学势的变化而振荡,且可为正也可为负值,这种行为完全依赖于电子电导的变化.研究结果对分子器件热传输的实际应用有意义.

英文摘要：

The thermal transport of a single-walled metallic carbon nanotube connected by two metallic leads was studied with Landauer- Buttiker formula. The thermoelectric power and thermal conductance in nonlinear regime with a temperature gradient were calculated. The thermoelectric power and thermal conductance are closely related to system transport behavior. The thermoelectric power oscillates with chemical potential, can be either negative or positive. These results allow us to expect that thermal transport properties of molecular devices have much to offer for practical applications.