First-principles study of strong rectification and negative differential resistance induced by charge distribution in single molecule
文献类型：期刊论文
| 作者 | Y. Min ; K. L. Yao ; H. H. Fu ; Z. L. Liu ; Q. Li |
| 刊名 | Journal of Chemical Physics
 |
| 出版日期 | 2010 |
| 卷号 | 132期号:21 |
| 关键词 | Green's function methods molecular electronics rectification initio electron propagators atomic-scale diodes wires systems |
| ISSN号 | 0021-9606 |
| 中文摘要 | For molecule-scale transport systems, a mechanism that the charge distribution of molecule under the various bias voltages can induce strong effect of rectification and negative differential resistance is proposed. Based on nonequilibrium Green's function combined with density functional theory, the proposal is testified by performing the first-principles calculations of transport characteristics of 2-(4'-thiolate-butyl)-6-thiol-anthrecene molecule sandwiched in two gold electrodes. The strong effect of rectification and negative differential resistance is obtained. The rectification effect is as large as 16. (C) 2010 American Institute of Physics. [doi:10.1063/1.3447380] |
| 原文出处 | |
| 公开日期 | 2012-04-13 |
| 源URL | [http://210.72.142.130/handle/321006/31384]  |
| 专题 | 金属研究所_中国科学院金属研究所 |
| 推荐引用方式 GB/T 7714 | Y. Min,K. L. Yao,H. H. Fu,et al. First-principles study of strong rectification and negative differential resistance induced by charge distribution in single molecule[J]. Journal of Chemical Physics,2010,132(21). |
| APA | Y. Min,K. L. Yao,H. H. Fu,Z. L. Liu,&Q. Li.(2010).First-principles study of strong rectification and negative differential resistance induced by charge distribution in single molecule.Journal of Chemical Physics,132(21). |
| MLA | Y. Min,et al."First-principles study of strong rectification and negative differential resistance induced by charge distribution in single molecule".Journal of Chemical Physics 132.21(2010). |
入库方式： OAI收割
来源：金属研究所
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