| C20分子的一个电子输运模型研究 |
| |
| 引用本文： | 霍新霞,王利光.C20分子的一个电子输运模型研究[J].原子与分子物理学报,2011,28(1):36-40. |
| |
| 作者姓名： | 霍新霞 王利光 |
| |
| 作者单位： | 江南大学理学院,无锡,214122 |
| |
| 基金项目： | 国家重点基础研究发展规划（973计划）项目（2003CB716204）;教育部国际合作研究项目（20060360563）；南京大学固体微结构物理国家重点实验室项目M06008） |
| |
| 摘 要： | 本文构建了Li链为电极的富勒烯C20分子的电子输运模型, 使用非平衡格林函数方法(Non-equilibrium Green's function, NEGF)对构建的Li电极和C20分子构成的分子器件进行了电子输运性质的计算. 计算得出了电子透射谱和电流电压曲线, 分析了产生这个分子器件电子输运性质的原因. 研究计算结果发现,大部分能量的电子是不会穿过器件的, 即使考虑不同偏压,能穿过器件的电子都集中在几个固定的能量上, 且在这几个固定能量上透过率比较高. 计算得出的伏安曲线说明在偏压为1.925V时电流达到最大, 只有在这个偏压周围才有相对明显的电流.
|
| 关 键 词： | 富勒烯C20 非平衡格林函数 电子传导 |
| 收稿时间： | 4/2/2010 12:00:00 AM |
Electronic Conductance of C20 Fullerence with Li Chain Electrodes |
| |
| huo xinxia and Wang Li-guang.Electronic Conductance of C20 Fullerence with Li Chain Electrodes[J].Journal of Atomic and Molecular Physics,2011,28(1):36-40. |
| |
| Authors: | huo xinxia and Wang Li-guang |
| |
| Institution: | School of Science, Jiangnan University,School of Science, Jiangnan University,School of Science, Jiangnan University |
| |
| Abstract: | The Non-equilibrium Green's function based on DFT is adopted for analyzing the electronic transmission of C20 molecule bridged between 2 Li chain electrodes. The transmission system is built in this paper and the transmission and voltage-current spectra are calculated out. The factors of forming the electronic transmission characteristic are analyzed then. It is showed that the electrons can only pass though the molecule is some special energy zones. Though different voltages on the Li-C20-Li are considered, these special zones still exist. The V-A spectra shows that the largest current is appearing at 1.925V, only beside this voltage, the current exist obviously.
Keywords: C20 fullerene; non-equilibrium Green's function; electronic conductance |
| |
| Keywords: | C20 fullerene non-equilibrium Green's function electronic conductance |
| 本文献已被 万方数据 等数据库收录！ |
| 点击此处可从《原子与分子物理学报》浏览原始摘要信息 |
| 点击此处可从《原子与分子物理学报》下载免费的PDF全文 |
|
