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Theoretical investigation of a single molecule device: Geometrical configurations and electronic properties
Yuan, Z ; Su, CR ; Zhang, SZ ; Li, JM
刊名CHINESE PHYSICS LETTERS
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
内容类型期刊论文
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.
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