Electron transmission and quantum current distribution of C_(70) molecule

作     者：KATSUNORI Tagami3 MASARU Tsukada 

作者机构：Nano Technology Research Centre 120-5 Waseda University 

出 版 物：《Science China(Physics,Mechanics & Astronomy)》 (中国科学：物理学、力学、天文学（英文版）)

年 卷 期：2008年第51卷第2期

页      面：126-132页

核心收录：

学科分类：07[理学] 070203[理学-原子与分子物理] 0702[理学-物理学] 

基　　金：the National Key Basic Research Development Project (Grant No. 2003CB716204) the International Corporation Project of the Education Department of China (Grant No. 20050360563) the Key Laboratory of Advanced Photonic and Electronic Materials of Jiangsu (Grant No. BM2003202) the State Key Laboratory of Solid State Microstructures of Nanjing University 

主　　题：C70 molecule electron transmission quantum current distribution 

摘      要：The characteristics of electron transmission through C70 molecule bridge in which two atomic chain leads are connected to long-axis carbon atoms are investigated theoretically by using tight-binding approach based on the Green s function with only one π orbital electron per carbon atom. Electron transmission through C70 molecule from the input to the output terminal is obtained. From the spectrum, the switching feature of the electron transmission through C70 is found, and the oscil-lation property based on the quantized level is explained. The quantum current distributions inside C70 molecule bridge are calculated and simulated by the quan-tum current density theory based on Fisher-Lee formula at the energy point E = -0.2 eV, where the transmission spectrum shows a peak. The maximum and the mini-mum bond quantum currents are presented, and the reason why the currents are distributed nonuniformly is explained by the phase difference of the atomic orbits. The result shows that the currents at each atomic site agree with Kirchhoff quan-tum current conservation law.