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Electronic Transport of Two Benzene Rings Nano Molecular Bridge
Wang Liguang*,Yu Dingwen,Li Yong,Katsunori Tagami
Author NameAffiliationE-mail
Wang Liguang* College of Science, Southern Yangtze University, Wuxi 214122 wangliguang@sytu.edu.cn 
Yu Dingwen Department of Precision Instrument, Tsinghua University, Beijing 100084  
Li Yong Department of Precision Instrument, Tsinghua University, Beijing 100084  
Katsunori Tagami Department of Physics, Graduate School of Science, University of Tokyo, Tokyo, 113-0033  
Abstract:
An two-electrode molecular bridge model that consists of two benzene rings was presented. The characteristics of electronic transport through the nano-molecular bridge was investigated theoretically by using the tight binding approach based on the Green’s function with only one π orbital per carbon atom at the site. Electronic transport probabilities through the molecular bridge from the input to the output terminal were obtained. The electronic current distributions inside the molecular bridge were calculated and shown in graphical analogy by the current density method based on Fisher-Lee formula at the energy points E=±0.68 and E=±1.38 where the peaks of transport probabilities appeared, and the maximum bond electronic current was also presented. The reason why the loop current in the benzene ring is induced by the phase difference within the molecular orbits is explained.
Key words:  Nano-molecular bridge, Electronic transport, Electronic current
FundProject:
并二苯环纳米分子桥的电子传导特性
王利光*,郁鼎文,李勇,田上胜规
摘要:
利用基于Green Function的Tight-binding方法,对由平面苯分子环耦合成的二端子纳米分子桥进行了理论计算和数值模拟,得出了入射电子通过纳米分子桥传输到不对称端点的电子传输概率,揭示出传导电子与分子轨道共振时传输峰值的出现和电子传输振荡的物理机制.利用Fisher-Lee关系式和电子流密度理论,在传输概率出现峰值的四个能量点E=±0.68和E=±1.38处计算了分子桥内的电子流分布,给出了这些能量点处环电流生成的物理解释和键电流的最大值,并且给出了分子内电流分布的图形模拟结果.
关键词:  分子桥  电子传输  电流
DOI:10.1088/1674-0068/18/4/533-536
分类号: