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题名: Discovery of a silicon-based ferrimagnetic wheel structure in VxSi12- (x=1-3) clusters: photoelectron spectroscopy and density functional theory investigation
作者: Huang, Xiaoming1;  Xu, Hong-Guang2;  Lu, Shengjie2;  Su, Yan1;  King, R. B.3, 4;  Zhao, Jijun1, 5;  Zheng, Weijun2
刊名: NANOSCALE
发表日期: 2014
DOI: 10.1039/c4nr03130j
卷: 6, 期:24, 页:14617-14621
收录类别: SCI
文章类型: Article
WOS标题词: Science & Technology ;  Physical Sciences ;  Technology
类目[WOS]: Chemistry, Multidisciplinary ;  Nanoscience & Nanotechnology ;  Materials Science, Multidisciplinary ;  Physics, Applied
研究领域[WOS]: Chemistry ;  Science & Technology - Other Topics ;  Materials Science ;  Physics
英文摘要: Our studies show that VSi12- adopts a V-centered hexagonal prism with a singlet spin state. The addition of the second V atom leads to a capped hexagonal antiprism for V2Si12- in a doublet spin state. Most interestingly, V3Si12- exhibits a ferrimagnetic, bicapped hexagonal antiprism wheel-like structure with a total spin of 4 mu(B).
关键词[WOS]: MOLECULAR-ORBITAL CALCULATIONS ;  GENETIC ALGORITHMS ;  STABILITY ;  STATES ;  RULE ;  ZN
语种: 英语
WOS记录号: WOS:000345458200002
Citation statistics: 
内容类型: 期刊论文
URI标识: http://cas-ir.dicp.ac.cn/handle/321008/145734
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.Dalian Univ Technol, Minist Educ, Key Lab Mat Modificat Laser Ion & Electron Beams, Dalian 116024, Peoples R China
2.Chinese Acad Sci, Inst Chem, State Key Lab Mol React Dynam, Beijing 100190, Peoples R China
3.Univ Georgia, Dept Chem, Athens, GA 30602 USA
4.Univ Georgia, Ctr Computat Chem, Athens, GA 30602 USA
5.Beijing Computat Sci Res Ctr, Beijing 100089, Peoples R China

Recommended Citation:
Huang, Xiaoming,Xu, Hong-Guang,Lu, Shengjie,et al. Discovery of a silicon-based ferrimagnetic wheel structure in VxSi12- (x=1-3) clusters: photoelectron spectroscopy and density functional theory investigation[J]. NANOSCALE,2014,6(24):14617-14621.
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