Investigations on the angular distortions around V2+ in CSMgX3 (X = Cl, Br, I)

IMR OpenIR

	Investigations on the angular distortions around V2+ in CSMgX3 (X = Cl, Br, I)
	S. Y. Wu; X. Y. Gao; H. N. Dong
	2006
发表期刊	Journal of Magnetism and Magnetic Materials
ISSN	0304-8853
卷号	301 期号:1 页码:67-73
摘要	The local structures for V2+ in CsMgX3 (X = Cl, Br, I) are theoretically investigated from the perturbation formulas of the EPR parameters (zero-field splitting, g factors and the hyperfine structure constants) for a 3d(3) ion in trigonal symmetry based on the cluster approach. In these formulas, the contributions from the s-orbitals of the ligands, which were usually neglected in the previous treatments, are considered here. Based on the Studies, we find that the local angles beta (between the impurity-ligand bonding lengths and the C-3 axis) in the V2+ centers are larger than the angles beta(H) in the hosts, leading to the positive angular distortions Delta beta (= beta - beta(H)). The theoretical EPR parameters (particularly the results for CsMgI3) show improvement compared with those in absence of the ligand s-orbital contributions or the above angular distortions. (c) 2005 Elsevier B.V. All rights reserved.
部门归属	univ elect sci & technol china, dept appl phys, chengdu 610054, peoples r china. chinese acad sci, int ctr mat phys, shenyang 110016, peoples r china. chongqing univ posts & telecommun, inst appl phys, chongqing 400065, peoples r china. chongqing univ posts & telecommun, coll elect engn, chongqing 400065, 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 (Epr) Csmgx3 (x = Cl Defect Structure Br Crystal- And i) Ligand-fields V2++ Atomic Screening Constants Superposition Model Scf Functions Cr3++ Ions Csmgcl3 Crystals Epr Pairs Absorption Parameters
URL	查看原文
WOS记录号	WOS:000236477800009
引用统计	被引频次：75[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/321006/34576
专题	中国科学院金属研究所
推荐引用方式 GB/T 7714	S. Y. Wu,X. Y. Gao,H. N. Dong. Investigations on the angular distortions around V2+ in CSMgX3 (X = Cl, Br, I)[J]. Journal of Magnetism and Magnetic Materials,2006,301(1):67-73.
APA	S. Y. Wu,X. Y. Gao,&H. N. Dong.(2006).Investigations on the angular distortions around V2+ in CSMgX3 (X = Cl, Br, I).Journal of Magnetism and Magnetic Materials,301(1),67-73.
MLA	S. Y. Wu,et al."Investigations on the angular distortions around V2+ in CSMgX3 (X = Cl, Br, I)".Journal of Magnetism and Magnetic Materials 301.1(2006):67-73.