四端纳米分子桥的量子传输特征  

Quantum transport of four-terminal nano-molecular bridge

作　　者：王利光[1] 李勇[2] 郁鼎文[2] 王军[1] 

机构地区：[1]江南大学理学院,无锡214064 [2]清华大学精密仪器与机械学系,北京100084

出　　处：《物理学报》2005年第1期233-236,共4页Acta Physica Sinica

基　　金：国家重点基础研究发展规划(973计划)项目(批准号:2 0 0 3CB7162 0 4) ;黑龙江省自然科学基金(批准号:A2 0 0 0 15);江南大学科研项目资助的课题~~

摘　　要：利用基于Greenfunction的Tight binding方法 ,对由平面共轭分子连结而成的有四个端子的纳米分子桥进行了理论研究和数值模拟 ,得出了入射电子通过纳米分子桥传输到各个端点的电子透射概率 .利用Fisher Lee关系式和电子流密度理论 ,在透射概率出现峰值的四个能量点E =± 1 2 ,E =± 1 4 9处计算了分子桥内的电子流分布 .不仅得出了键电子流的最大值 。The characteristics of quantum transmission through a four-terminal nano-molecular bridge are investigated theoretically by using tight-binding approach, based on the Green's function with only a pi orbital per carbon atom at the site. The transmission probabilities of the electrons transported through the molecular bridge to every terminal are obtained. The electronic current distributions inside the molecular bridge are calculated and shown in graphical analogy by the current density method and Fisher-Lee formulism at the energy points E=+/-1.2 and E=+/-1.49 where transmission probabilities show peaks, the maximum bond currents are also presented. It is found that the loop currents in molecules are induced by the phase difference of the molecular orbitals.

关 键 词：电子流 纳米分子 透射 共轭分子 波函数 位相差 分子轨道 端子 量子传输 端点 

分 类 号：TB383[一般工业技术—材料科学与工程]