Structures and magnetic properties of CrSin- (n=3-12) clusters: Photoelectron spectroscopy and density functional calculations
文献类型：期刊论文
| 作者 | Kong, Xiangyu; Xu, Hong-Guang; Zheng, Weijun |
| 刊名 | JOURNAL OF CHEMICAL PHYSICS
 |
| 出版日期 | 2012-08-14 |
| 卷号 | 137期号:6 |
| ISSN号 | 0021-9606 |
| DOI | 10.1063/1.4742065 |
| 英文摘要 | Chromium-doped silicon clusters, CrSin-(n = 3-12), were investigated with anion photoelectron spectroscopy and density functional theory calculations. The combination of experimental measurement and theoretical calculations reveals that the onset of endohedral structure in CrSin- clusters occurs at n = 10 and the magnetic properties of the CrSin- clusters are correlated to their geometric structures. The most stable isomers of CrSin- from n = 3 to 9 have exohedral structures with magnetic moments of 3-5 mu(B) while those of CrSi10-, CrSi11-, and CrSi12- have endohedral structures and magnetic moments of 1 mu(B). (C) 2012 American Institute of Physics. [http://dx.doi.org/10.1063/1.4742065] |
| 语种 | 英语 |
| WOS记录号 | WOS:000308048700025 |
| 出版者 | AMER INST PHYSICS |
| 源URL | [http://ir.iccas.ac.cn/handle/121111/47981]  |
| 专题 | 中国科学院化学研究所 |
| 通讯作者 | Zheng, Weijun |
| 作者单位 | Chinese Acad Sci, Inst Chem, State Key Lab Mol React Dynam, Beijing Natl Lab Mol Sci, Beijing 100190, Peoples R China |
| 推荐引用方式 GB/T 7714 | Kong, Xiangyu,Xu, Hong-Guang,Zheng, Weijun. Structures and magnetic properties of CrSin- (n=3-12) clusters: Photoelectron spectroscopy and density functional calculations[J]. JOURNAL OF CHEMICAL PHYSICS,2012,137(6). |
| APA | Kong, Xiangyu,Xu, Hong-Guang,&Zheng, Weijun.(2012).Structures and magnetic properties of CrSin- (n=3-12) clusters: Photoelectron spectroscopy and density functional calculations.JOURNAL OF CHEMICAL PHYSICS,137(6). |
| MLA | Kong, Xiangyu,et al."Structures and magnetic properties of CrSin- (n=3-12) clusters: Photoelectron spectroscopy and density functional calculations".JOURNAL OF CHEMICAL PHYSICS 137.6(2012). |
入库方式： OAI收割
来源：化学研究所
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