A density-functional study of small titanium clusters
文献类型：期刊论文
| 作者 | Wei SH ; Zeng Z ; You JQ ; Yan XH ; Gong XG |
| 刊名 | journal of chemical physics
 |
| 出版日期 | 2000 |
| 卷号 | 113期号:24页码:11127-11133 |
| 关键词 | DISSOCIATION-ENERGIES 3D BAND FE EVOLUTION EFFICIENT MOLECULES FORMALISM TI2 |
| ISSN号 | 0021-9606 |
| 通讯作者 | wei sh,xiangtan univ,dept phys,xiangtan 411105,peoples r china. |
| 中文摘要 | the atomic structures and electronic properties of small ti-n (n=2-10) clusters have been studied by using the density-functional theory with a local spin density approximation. we find that the inner-shells (3s3p) of the titanium atom plays an important role in the formation of the small clusters. we have obtained the ground state of titanium clusters, ti-7 is found to be a magic cluster, which is in good agreement with the experimental results. starting with ti-8 cluster some features of the electronic structure of the titanium bulk have been developed. the ionization potentials and magnetic moments for these small titanium clusters are also presented. (c) 2000 american institute of physics. [s0021- 9606(00)30544-x]. |
| 学科主题 | 半导体物理 |
| 收录类别 | SCI |
| 语种 | 英语 |
| 公开日期 | 2010-08-12 |
| 源URL | [http://ir.semi.ac.cn/handle/172111/12344]  |
| 专题 | 半导体研究所_中国科学院半导体研究所（2009年前） |
| 推荐引用方式 GB/T 7714 | Wei SH,Zeng Z,You JQ,et al. A density-functional study of small titanium clusters[J]. journal of chemical physics,2000,113(24):11127-11133. |
| APA | Wei SH,Zeng Z,You JQ,Yan XH,&Gong XG.(2000).A density-functional study of small titanium clusters.journal of chemical physics,113(24),11127-11133. |
| MLA | Wei SH,et al."A density-functional study of small titanium clusters".journal of chemical physics 113.24(2000):11127-11133. |
入库方式： OAI收割
来源：半导体研究所
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