Theoretical investigations of the hyperfine interactions for Co2+ in the fluoroperovskites

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	Theoretical investigations of the hyperfine interactions for Co2+ in the fluoroperovskites
	S. Y. Wu; Z. H. Zhang; L. H. Wei; H. Wang; Y. X. Hu
	2008
发表期刊	Chemical Physics
ISSN	0301-0104
卷号	348 期号:1-3 页码:199-202
摘要	The hyperfine structure constant A of central ion and the superhyperfine parameters A' and B' of ligands for CO2+ in LiBaF3, KMgF3, KZnF3 and CsCdF3 are theoretically studied from a cluster approach based on the weak field scheme. The unpaired spin densities for the fluorine 2s, 2p sigma and 2p pi orbitals are quantitatively calculated from the molecular orbital and mixing interaction coefficients based on the cluster approach. The experimental A, A' and B' as well as the g factor for Co2+ in these fluoroperovskites are satisfactorily explained in a uniform way. The results are discussed. (c) 2008 Elsevier B.V. All rights reserved.
部门归属	[wu, shao-yi; zhang, zhi-hong; wei, li-hua; wang, hui; hu, yue-xia] univ elect sci & technol china, dept appl phys, chengdu 610054, peoples r china. [wu, shao-yi] chinese acad sci, int ctr mat phys, shenyang 110016, peoples r china.;wu, sy (reprint author), univ elect sci & technol china, dept appl phys, chengdu 610054, peoples r china;wushaoyi@netease.com
关键词	Electron Paramagnetic Resonance Crystal- And ligAnd-field Theory Hyperfine Interactions Co2++ Libaf3 Kmgf3 Kznf3 Cscdf3 Spin-hamiltonian Parameters Atomic Screening Constants Iron-group Ions Magnetic Properties Fluoride Crystals Local-structure Scf Functions Libaf3 Luminescence Complex
URL	查看原文
WOS记录号	WOS:000256737200025
引用统计	被引频次：4[WOS] [WOS记录] [WOS相关记录]
文献类型	期刊论文
条目标识符	http://ir.imr.ac.cn/handle/321006/33213
专题	中国科学院金属研究所
推荐引用方式 GB/T 7714	S. Y. Wu,Z. H. Zhang,L. H. Wei,et al. Theoretical investigations of the hyperfine interactions for Co2+ in the fluoroperovskites[J]. Chemical Physics,2008,348(1-3):199-202.
APA	S. Y. Wu,Z. H. Zhang,L. H. Wei,H. Wang,&Y. X. Hu.(2008).Theoretical investigations of the hyperfine interactions for Co2+ in the fluoroperovskites.Chemical Physics,348(1-3),199-202.
MLA	S. Y. Wu,et al."Theoretical investigations of the hyperfine interactions for Co2+ in the fluoroperovskites".Chemical Physics 348.1-3(2008):199-202.