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题名: Structures and magnetic properties of CrSin- (n=3-12) clusters: Photoelectron spectroscopy and density functional calculations
作者: Kong, Xiangyu1;  Xu, Hong-Guang1;  Zheng, Weijun1
刊名: JOURNAL OF CHEMICAL PHYSICS
发表日期: 2012-08-14
DOI: 10.1063/1.4742065
卷: 137, 期:6
收录类别: SCI
文章类型: Article
类目[WOS]: Physics, Atomic, Molecular & Chemical
研究领域[WOS]: Physics
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]
关键词[WOS]: SUPERSONIC MOLECULAR-BEAM ;  SILICON CLUSTERS ;  ELECTRONIC-STRUCTURES ;  SELECTIVE FORMATION ;  N=1-6 CLUSTERS ;  SI ;  GEOMETRIES ;  CAGES ;  STABILITIES ;  RESISTORS
语种: 英语
WOS记录号: WOS:000308048700025
Citation statistics: 
内容类型: 期刊论文
URI标识: http://cas-ir.dicp.ac.cn/handle/321008/142854
Appears in Collections:中国科学院大连化学物理研究所_期刊论文

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作者单位: 1.Chinese Acad Sci, Inst Chem, State Key Lab Mol React Dynam, Beijing Natl Lab Mol Sci, Beijing 100190, Peoples R China

Recommended Citation:
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).
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