| 基于紧密耦合理论的3端分子桥的传导特性 |
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| 引用本文： | 王利光,李勇,郁鼎文,KatsunoriTagami,MasaruTsukada. 基于紧密耦合理论的3端分子桥的传导特性[J]. 中国物理, 2005, 14(5): 1011-1014 |
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| 作者姓名： | 王利光 李勇 郁鼎文 KatsunoriTagami MasaruTsukada |
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| 作者单位： | College of Science, Southern Yangtze University, Wuxi 214122, China;Department of Precision Instrument, Tsinghua University, Beijing 100084, China;Department of Precision Instrument, Tsinghua University, Beijing 100084, China;Department of Physics, Graduate School of Science, University of Tokyo, Tokyo, 113-0033, Japan;Department of Physics, Graduate School of Science, University of Tokyo, Tokyo, 113-0033, Japan |
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| 基金项目： | Project supported by the State Key Development Program for Basic Research of China (Grant No. 2003CB716204), partly by the International Corporation Project from University of Tokyo (Devices on Molecular and DNA Levels) |
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| 摘 要： | 利用基于紧密耦合理论的格林函数方法，考虑到每一个碳原子的π轨道电子，对3苯环构成的纳米分子桥的量子传输特性进行了理论研究。得出了从分子桥的一个端点到另外两个端点的电子传输概率。 利用基于Fisher-Lee公式的流密度方法，在传输概率出现峰值的能量点E=±0.42, ±1.06 和±1.5处，计算了分子桥内部的电流分布。其数值结果用图形模拟表示出来。我们发现传输谱与入射电子能量相关，并且紧密地依赖与分子能级。其结果显示电子流分布完全符合Kirchhoff量子动量守恒定律。
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| 关 键 词： | 分子桥；传输概率；分子器件 |
| 收稿时间： | 2004-08-18 |
| 修稿时间： | 2005-01-07 |
Conductance of three-terminal molecular bridge based on tight-binding theory |
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| Wang Li-Guang,Li Yong,Yu Ding-Wen,Tagami Katsunori and Tsukada Masaru. Conductance of three-terminal molecular bridge based on tight-binding theory[J]. Chinese Physics, 2005, 14(5): 1011-1014 |
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| Authors: | Wang Li-Guang Li Yong Yu Ding-Wen Tagami Katsunori Tsukada Masaru |
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| Affiliation: | College of Science, Southern Yangtze University, Wuxi 214122, China; Department of Physics, Graduate School of Science, University of Tokyo, Tokyo, 113-0033, Japan; Department of Precision Instrument, Tsinghua University, Beijing 100084, China |
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| Abstract: | The quantum transmission characteristic of three-benzene ring nano-molecular bridge is investigated theoretically by using Green's function approach based on tight-binding theory with only a π orbital per carbon atom at the site. The transmission probabilities that electrons transport through the molecular bridge from one terminal to the other two terminals are obtained. The electronic current distributions inside the molecular bridge are calculated and shown in graphical analogy by the current density method based on Fisher-Lee formula at the energy points E=±0.42, ±1.06 and ±1.5, respectively, where the transmission spectra appear peaks. We find that the transmission spectra are related to the incident electronic energy and the molecular levels strongly, and the current distributions agree well with Kirchhoff quantum current momentum conservation law. |
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| Keywords: | molecular bridge transmission probability molecular device |
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