Investigations of the electron paramagnetic resonance parameters and defect structures for Ni(2+) ions in CdX(2) (X = Cl, Br) crystals

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	Investigations of the electron paramagnetic resonance parameters and defect structures for Ni(2+) ions in CdX(2) (X = Cl, Br) crystals
	W. Fang; X. X. Wu; W. C. Zheng
	2008
发表期刊	Journal of Magnetism and Magnetic Materials
ISSN	0304-8853
卷号	320 期号:21 页码:2784-2787
摘要	The high-order perturbation formulas of electron paramagnetic resonance (EPR) parameters (g factors g(parallel to), g(perpendicular to) and zero-field splitting D) for 3d(8) ions in trigonal octahedral clusters are established. These formulas contain the contributions not only from the crystal-field (CF) mechanism, but also from the charge-transfer (CT) mechanism (which is not considered in the widely used CF theory). From these formulas, the EPR parameters and the impurity-induced defect structures for Ni(2+) ions in CdX(2) (X = Cl, Br) crystals are studied. The calculated EPR parameters are coincident with the experimental values, and the defect structure of Ni(2+) impurity center obtained from the calculation is different from the corresponding structure in the host crystal. The sign of Q(CT) (Q = Delta g(parallel to), Delta g(perpendicular to), or D) due to CT mechanism agrees with that of the corresponding Q(CF) due to CF mechanism and the relative importance of CT mechanism (characterized by Q(CT)/Q(CF)) increases with increasing covalence of 3d(8) clusters and hence with raising atomic number of ligand X. So, in the explanations of the EPR parameters of 3d(8) (or other 3d(n)) ions in crystals with the heavy-element ligand ion (e. g., Br(-)), the calculated formulas based on the two-mechanism (CF and CT mechanisms) model are preferable to those based on only the CF mechanism in the CF theory. (C) 2008 Elsevier B. V. All rights reserved.
部门归属	[fang wang; zheng wen-chen] sichuan univ, dept mat sci, chengdu 610064, peoples r china. [wu xiao-xuan] civil aviat flight univ china, dept phys, guanghan 618307, peoples r china. [zheng wen-chen] chinese acad sci, int ctr mat phys, shenyang 110016, peoples r china.;zheng, wc (reprint author), sichuan univ, dept mat sci, chengdu 610064, peoples r china;zhengwc1@163.com
关键词	Electron Paramagnetic Resonance (Epr) Crystal- And ligAnd-field Theory Charge-transfer Mechanism Defect Structure Ni(2+) Cdcl(2) Cdbr(2) Atomic Screening Constants Single-crystals Local-structure Scf Functions Spectra Transition Cadmium Cdcl2 Epr
URL	查看原文
WOS记录号	WOS:000258395400043
引用统计	被引频次：12[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/321006/32742
专题	中国科学院金属研究所
推荐引用方式 GB/T 7714	W. Fang,X. X. Wu,W. C. Zheng. Investigations of the electron paramagnetic resonance parameters and defect structures for Ni(2+) ions in CdX(2) (X = Cl, Br) crystals[J]. Journal of Magnetism and Magnetic Materials,2008,320(21):2784-2787.
APA	W. Fang,X. X. Wu,&W. C. Zheng.(2008).Investigations of the electron paramagnetic resonance parameters and defect structures for Ni(2+) ions in CdX(2) (X = Cl, Br) crystals.Journal of Magnetism and Magnetic Materials,320(21),2784-2787.
MLA	W. Fang,et al."Investigations of the electron paramagnetic resonance parameters and defect structures for Ni(2+) ions in CdX(2) (X = Cl, Br) crystals".Journal of Magnetism and Magnetic Materials 320.21(2008):2784-2787.