Au@Si-n: Growth behavior, stability and electronic structure
文献类型：期刊论文
| ; | |
| 作者 | Wang J (Wang Jing); Liu Y (Liu Ying); Li YC (Li You-Cheng); Liu, Y, Hebei Normal Univ, Dept Phys, Shijiazhuang 050016, Hebei, Peoples R China. 电子邮箱地址: yliu@hebtu.edu.cn |
| 刊名 | physics letters a
 ; PHYSICS LETTERS A
|
| 出版日期 | 2010 ; 2010 |
| 卷号 | 374期号:27页码:2736-2742 |
| 关键词 | Density functional theory Density Functional Theory Gold-doped Silicon Cluster Electronic Structure Supersonic Molecular-beam Silicon Clusters Magnetic-properties N=1-13 Clusters Nickel Clusters Gold Exchange Ti Gold-doped silicon cluster Electronic structure SUPERSONIC MOLECULAR-BEAM SILICON CLUSTERS MAGNETIC-PROPERTIES N=1-13 CLUSTERS NICKEL CLUSTERS GOLD EXCHANGE TI |
| 通讯作者 | liu, y, hebei normal univ, dept phys, shijiazhuang 050016, hebei, peoples r china. 电子邮箱地址: yliu@hebtu.edu.cn |
| 合作状况 | 国内 |
| 英文摘要 | the configurations, stability, and electronic structure of ausin (n = 1-16) clusters have been investigated within the framework of the density functional theory at the b3pw91/lanl2dz and pw91/dnp levels. the results show that the au atom begins to occupy the interior site for cages as small as si-11 and for si-12 the au atom completely falls into the interior site forming au@si-12 cage. a relatively large embedding energy and small homo-lumo gap are also found for this au@si-12 structure indicating enhanced chemical activity and good electronic transfer properties. all these make au@si-12 attractive for cluster-assembled materials.; The configurations, stability, and electronic structure of AuSin (n = 1-16) clusters have been investigated within the framework of the density functional theory at the B3PW91/LanL2DZ and PW91/DNP levels. The results show that the Au atom begins to occupy the interior site for cages as small as Si-11 and for Si-12 the Au atom completely falls into the interior site forming Au@Si-12 cage. A relatively large embedding energy and small HOMO-LUMO gap are also found for this Au@Si-12 structure indicating enhanced chemical activity and good electronic transfer properties. All these make Au@Si-12 attractive for cluster-assembled materials.; submitted by 阎军 (yanj@red.semi.ac.cn) on 2010-07-18t13:45:16z no. of bitstreams: 1 au@si-n growth behavior, stability and electronic structure.pdf: 1800752 bytes, checksum: 52183b98ac047f42b99f12ca53928a54 (md5); approved for entry into archive by 阎军(yanj@red.semi.ac.cn) on 2010-07-18t13:55:50z (gmt) no. of bitstreams: 1 au@si-n growth behavior, stability and electronic structure.pdf: 1800752 bytes, checksum: 52183b98ac047f42b99f12ca53928a54 (md5); made available in dspace on 2010-07-18t13:55:50z (gmt). no. of bitstreams: 1 au@si-n growth behavior, stability and electronic structure.pdf: 1800752 bytes, checksum: 52183b98ac047f42b99f12ca53928a54 (md5) previous issue date: 2010; we gratefully acknowledge financial support from the 973 project in china under grant no. 2006cb605101. and we would like to thank prof. chen nan-xian and shen jiang for helpful discussions and dr. n.e. davison for his help with the language. this work was supported by the national natural science foundation of china (grant no. 10874039), the natural science foundation of hebei province (no. a2008000134).; 国内 |
| 学科主题 | 半导体物理 ; 半导体物理 |
| 收录类别 | SCI |
| 资助信息 | we gratefully acknowledge financial support from the 973 project in china under grant no. 2006cb605101. and we would like to thank prof. chen nan-xian and shen jiang for helpful discussions and dr. n.e. davison for his help with the language. this work was supported by the national natural science foundation of china (grant no. 10874039), the natural science foundation of hebei province (no. a2008000134). |
| 语种 | 英语 ; 英语 |
| 资助机构 | We gratefully acknowledge financial support from the 973 Project in China under Grant No. 2006CB605101. And we would like to thank Prof. Chen Nan-Xian and Shen Jiang for helpful discussions and Dr. N.E. Davison for his help with the language. This work was supported by the National Natural Science Foundation of China (Grant No. 10874039), the Natural Science Foundation of Hebei Province (No. A2008000134). |
| 公开日期 | 2010-07-18 ; 2010-07-18 ; 2010-10-15 |
| 源URL | [http://ir.semi.ac.cn/handle/172111/11369]  |
| 专题 | 半导体研究所_半导体超晶格国家重点实验室 |
| 通讯作者 | Liu, Y, Hebei Normal Univ, Dept Phys, Shijiazhuang 050016, Hebei, Peoples R China. 电子邮箱地址: yliu@hebtu.edu.cn |
| 推荐引用方式 GB/T 7714 | Wang J ,Liu Y ,Li YC ,et al. Au@Si-n: Growth behavior, stability and electronic structure, Au@Si-n: Growth behavior, stability and electronic structure[J]. physics letters a, PHYSICS LETTERS A,2010, 2010,374, 374(27):2736-2742, 2736-2742. |
| APA | Wang J ,Liu Y ,Li YC ,&Liu, Y, Hebei Normal Univ, Dept Phys, Shijiazhuang 050016, Hebei, Peoples R China. 电子邮箱地址: yliu@hebtu.edu.cn.(2010).Au@Si-n: Growth behavior, stability and electronic structure.physics letters a,374(27),2736-2742. |
| MLA | Wang J ,et al."Au@Si-n: Growth behavior, stability and electronic structure".physics letters a 374.27(2010):2736-2742. |
入库方式： OAI收割
来源：半导体研究所
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