Investigations of the spin Hamiltonian parameters and defect structure for the rhombic Gd3+ center in calcium oxide

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	Investigations of the spin Hamiltonian parameters and defect structure for the rhombic Gd3+ center in calcium oxide
	S. Y. Wu ; H. N. Dongo ; J. Z. Lin ; Q. Fu
刊名	Radiation Effects and Defects in Solids
	2006
卷号	161 期号:9 页码:505-510
关键词	superposition model defect structures crystal fields and spin Hamiltonians Gd3+ CaO electron-gas theory single-crystals superposition-model energy levels cao ions resonance epr gadolinium coatings
ISSN号	1042-0150
中文摘要	The spin Hamiltonian (SH) parameters (zero-field splittings, b(2)(0), b(2)(2), b(4)(0), b(4)(2), b(4)(4), b(6)(0) and b(6)(6)) and the defect structure for the rhombic Gd3+ center in CaO are theoretically investigated by the superposition model. Meanwhile, the g-factor is also quantitatively studied from the approximation formula on the basis of an admixture of the ground S-8(7/2) and the excited L-6(7/2) (L = P, D, F, G) states via the spin-orbit coupling interactions. The defect structure of this center can be described by the impurity Gd3+ occupying the host octahedral Ca2+ site, associated with one nearest neighbouring cation vacancy V-Ca in the [110] direction. On the basis of these studies, the impurity Gd3+ is found to shift towards the V-Ca along the [110] axis by about 0.582 angstrom, whereas the oxygen ligands closest to the V-Ca suffer a displacement towards the latter by about 0.211 angstrom. The calculated SH parameters based on the earlier analyses show reasonable agreement with the observed values.
原文出处	://WOS:000239453300001
公开日期	2012-04-14
内容类型	期刊论文
源URL	[http://ir.imr.ac.cn/handle/321006/34575]
专题	金属研究所_中国科学院金属研究所
推荐引用方式 GB/T 7714	S. Y. Wu,H. N. Dongo,J. Z. Lin,et al. Investigations of the spin Hamiltonian parameters and defect structure for the rhombic Gd3+ center in calcium oxide[J]. Radiation Effects and Defects in Solids,2006,161(9):505-510.
APA	S. Y. Wu,H. N. Dongo,J. Z. Lin,&Q. Fu.(2006).Investigations of the spin Hamiltonian parameters and defect structure for the rhombic Gd3+ center in calcium oxide.Radiation Effects and Defects in Solids,161(9),505-510.
MLA	S. Y. Wu,et al."Investigations of the spin Hamiltonian parameters and defect structure for the rhombic Gd3+ center in calcium oxide".Radiation Effects and Defects in Solids 161.9(2006):505-510.