Electron transmission and quantum current distribution of C70 molecule

• 来源期刊: 中国科学G辑（英文版）
• 年，卷（期）: 2008,（2）
• 页码范围: 126-132
• 页数: 7页
• 语种: 英文
• DOI: 10.1007/s 11433-008-0011-z

摘要

The characteristics of electron transmission through 70 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-turn current density theory based on Fisher-Lee formula at the energy point E= -0.2eV, 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-turn current conservation law.