Theoretical study of the spin Hamiltonian parameters of vanadium ions V2+ in CsMgX3 (X = Cl, Br, I)

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	Theoretical study of the spin Hamiltonian parameters of vanadium ions V2+ in CsMgX3 (X = Cl, Br, I)
	X. Y. Gao; S. Y. Wu; W. H. Wei; W. Z. Yan
	2005
发表期刊	Zeitschrift Fur Naturforschung Section a-a Journal of Physical Sciences
ISSN	0932-0784
卷号	60 期号:3 页码:145-148
摘要	The spin Hamiltonian g factors and the hyperfine structure constants for V2+ in CsMgX3 (X = Cl, Br, I) are theoretically studied by using the perturbation formulas of these parameters for a 3d(3) ion in octahedral symmetry, based on the cluster approach. In such formulas, the contributions from the s-orbitals of the ligands were usually neglected. Here they are taken into account. The theoretical results (particularly the g factor for CsMgI3) show a significant improvement compared with those in absence of the ligand s-orbital contributions in the previous studies.
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.;wu, sy (reprint author), univ elect sci & technol china, dept appl phys, chengdu 610054, peoples r china;shaoyi_wu@163.com
关键词	Electron Paramagnetic Resonance (x = Cl Crystal- And ligAnd-field Theory Br V2++ i) Csmgx3 Atomic Screening Constants Scf Functions Csmgcl3 Absorption Pairs Cr3++
URL	查看原文
WOS记录号	WOS:000228391700003
引用统计	被引频次：18[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/321006/34846
专题	中国科学院金属研究所
推荐引用方式 GB/T 7714	X. Y. Gao,S. Y. Wu,W. H. Wei,et al. Theoretical study of the spin Hamiltonian parameters of vanadium ions V2+ in CsMgX3 (X = Cl, Br, I)[J]. Zeitschrift Fur Naturforschung Section a-a Journal of Physical Sciences,2005,60(3):145-148.
APA	X. Y. Gao,S. Y. Wu,W. H. Wei,&W. Z. Yan.(2005).Theoretical study of the spin Hamiltonian parameters of vanadium ions V2+ in CsMgX3 (X = Cl, Br, I).Zeitschrift Fur Naturforschung Section a-a Journal of Physical Sciences,60(3),145-148.
MLA	X. Y. Gao,et al."Theoretical study of the spin Hamiltonian parameters of vanadium ions V2+ in CsMgX3 (X = Cl, Br, I)".Zeitschrift Fur Naturforschung Section a-a Journal of Physical Sciences 60.3(2005):145-148.