Theoretical investigation of a single molecule device: Geometrical configurations and electronic properties
文献类型：期刊论文
| 作者 | Yuan, Z ; Su, CR ; Zhang, SZ ; Li, JM |
| 刊名 | CHINESE PHYSICS LETTERS
 |
| 出版日期 | 2004 |
| 卷号 | 21期号:3页码:568 |
| 关键词 | TOTAL-ENERGY CALCULATIONS WAVE BASIS-SET TRANSITION PSEUDOPOTENTIALS JUNCTION |
| ISSN号 | 0256-307X |
| 通讯作者 | Yuan, Z (reprint author), Tsing Hua Univ, Dept Phys, Ctr Atom & Mol Nanosci, Beijing 100084, Peoples R China. |
| 中文摘要 | Using the first-principle molecular dynamics simulations, we have studied the molecular geometrical configurations as well as the corresponding electronic structures of a single molecule device assembled by the mechanically controllable break junction technique with variations of the electrode distance. There are some very interesting features varying with the electrode distance. |
| 收录类别 | SCI |
| 语种 | 英语 |
| 公开日期 | 2013-09-23 |
| 源URL | [http://ir.iphy.ac.cn/handle/311004/45634]  |
| 专题 | 物理研究所_物理所公开发表论文_物理所公开发表论文_期刊论文 |
| 推荐引用方式 GB/T 7714 | Yuan, Z,Su, CR,Zhang, SZ,et al. Theoretical investigation of a single molecule device: Geometrical configurations and electronic properties[J]. CHINESE PHYSICS LETTERS,2004,21(3):568. |
| APA | Yuan, Z,Su, CR,Zhang, SZ,&Li, JM.(2004).Theoretical investigation of a single molecule device: Geometrical configurations and electronic properties.CHINESE PHYSICS LETTERS,21(3),568. |
| MLA | Yuan, Z,et al."Theoretical investigation of a single molecule device: Geometrical configurations and electronic properties".CHINESE PHYSICS LETTERS 21.3(2004):568. |
入库方式： OAI收割
来源：物理研究所
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