摘要
利用基于Green Function的Tight-binding方法,对由平面共轭分子连结成的三端子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两个能量点E=±1.89处计算了分子桥内的电子流分布,同时得出了键电子流的最大值,并且得出了数值模拟结果。
The characteristics of quantum transmission through three-terminal nano-molecular bridge was investigated theoretically by using tight-binding approach based on the Green' s function with only a π orbital per carbon atom at the site. Electronic transmission probabilities through the molecular bridge to every terminal are obtained. The electronic current distributions inside the molecular bridge were calculated and shown in graphical analogy by the current density method and Fisher-Lee formulism at the energy points E = ±1.89 where transmission probabilities appear peaks, and the maximum bond electronic current is also presented.
出处
《人工晶体学报》
EI
CAS
CSCD
北大核心
2004年第5期797-800,796,共5页
Journal of Synthetic Crystals
基金
国家重点基础研究发展规划(973计划)项目(No.2003CB716204)日本东京大学国际合作项目(DevicesonmolecularandDNAlevels)黑龙江省自然科学基金项目(No.A200015)
