Studies of the spin Hamiltonian parameters and the local structure for the trigonal Cr(3+) centers I, III and IV in CsMgCl(3)

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	Studies of the spin Hamiltonian parameters and the local structure for the trigonal Cr(3+) centers I, III and IV in CsMgCl(3)
	S. Y. Wu; H. N. Dong; H. M. Zhang; G. D. Lu
	2008
发表期刊	Physica Scripta
ISSN	0031-8949
卷号	77 期号:2
摘要	The spin Hamiltonian (SH) parameters (zero-field splitting D, anisotropic g factors g(parallel to) and g(perpendicular to)) and the local structure of the trigonal Cr(3+) centers I, III and IV in CsMgCl(3) are studied using the perturbation formulae for the SH parameters for a 3d(3) ion in trigonal symmetry based on the cluster approach. In these formulae, not only the contributions from the conventional crystal-field (CF) mechanism, but also those from the charge-transfer (CT) mechanism are taken into account. According to the studies, the metal-ligand bond angle related to the C(3)-axis is found to increase from beta(H)(approximate to 51.71 degrees) in the host to beta(approximate to 54.48 degrees) in the impurity center I (in the absence of local charge compensation). As for center III (or IV), the three Cl(-) ions closest to the compensator V(Mg) (or Li(+)) are expected to displace away from the compensator by an amount Delta X(III) approximate to 0.009 nm (Delta X(IV) approximate to 0.003 nm) due to the electrostatic repulsion. The local structure of the trigonal centers and the contributions from the CT mechanism are discussed.
部门归属	[wu, shao-yi; zhang, hua-ming; lu, guang-duo] univ elect sci & technol china, inst appl phys, chengdu 610054, peoples r china. [wu, shao-yi; dong, hui-ning] chinese acad sci, int ctr mat phys, shenyang 110016, peoples r china. chongqing univ posts & telecommun, inst appl phys, chongqing 400065, peoples r china. [dong, hui-ning] chongqing univ posts & telecommun, coll elect engn, chongqing 400065, peoples r china.;wu, sy (reprint author), univ elect sci & technol china, inst appl phys, chengdu 610054, peoples r china;shaoyi_wu@163.com
关键词	Electron-paramagnetic Resonance Superposition-model Spectroscopic Properties Single-crystals Defect Centers Field Analysis Ions Sites Pairs Constants
URL	查看原文
WOS记录号	WOS:000254328700022
引用统计	被引频次：5[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/321006/33206
专题	中国科学院金属研究所
推荐引用方式 GB/T 7714	S. Y. Wu,H. N. Dong,H. M. Zhang,et al. Studies of the spin Hamiltonian parameters and the local structure for the trigonal Cr(3+) centers I, III and IV in CsMgCl(3)[J]. Physica Scripta,2008,77(2).
APA	S. Y. Wu,H. N. Dong,H. M. Zhang,&G. D. Lu.(2008).Studies of the spin Hamiltonian parameters and the local structure for the trigonal Cr(3+) centers I, III and IV in CsMgCl(3).Physica Scripta,77(2).
MLA	S. Y. Wu,et al."Studies of the spin Hamiltonian parameters and the local structure for the trigonal Cr(3+) centers I, III and IV in CsMgCl(3)".Physica Scripta 77.2(2008).