Structures and magnetic properties of CrSin- (n=3-12) clusters: Photoelectron spectroscopy and density functional calculations

doi:10.1063/1.4742065

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	Structures and magnetic properties of CrSin- (n=3-12) clusters: Photoelectron spectroscopy and density functional calculations
	Kong, Xiangyu; Xu, Hong-Guang; Zheng, Weijun
刊名	JOURNAL OF CHEMICAL PHYSICS
	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
出版者	AMER INST PHYSICS
WOS记录号	WOS:000308048700025
内容类型	期刊论文
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).