Quantum Transport of Three-Terminal Pyrene Molecular Bridge
The quantum transmission spectra of the three terminal pyrene molecular bridge and the quantum current distribution in the three terminal pyrene molecular bridge are investigated theoretically by the tight-binding model based on Greens function method and the quantum current density approach, in which one π atomic orbital is taken into account per carbon atom. The transmission spectra show that the quantum transmission through the three electrodes pyrene molecular bridge depends obviously on the electronic energy, and on the connection between the electrode and the molecule. The transmission spectra have oscillation property and symmetrical structure. A novel plus-minus energy switching function of the three terminals pyrene molecular bridge is found. The result of the quantum current distribution shows that the loop currents are induced, and some bond currents are much larger the input and the output currents. The reasons for inducing the loop currents and the larger bond currents are the phase difference of the expanded atomic orbital wave function and the degenerate of the molecular orbits. The calculations illustrate the quantum current distributions at each carbon atomic site agree well with Kirchhoff quantum current conservation law.
Pyrene molecular bridge Three electrodes quantum transmission Current distribution
王利光 张秀梅 李勇 郁鼎文 田上胜规 塚田 捷
江南大学理学院,无锡,214122;南京大学固体微结构物理国家重点实验室,南京,210039 江南大学理学院,无锡,214122 清华大学国家摩擦重点实验室微纳分室,北京,100084 清华大学国家摩擦重点实验室微纳分室,北京,100084; 早稻田大学纳米技术研究中心120-5,东京,162-00041,日本
国际会议
成都
英文
2007-11-19（万方平台首次上网日期，不代表论文的发表时间）