Theoretical studies of the spin-Hamiltonian parameters and defect structure for the tetragonal Gd(3+) center in cubic c-RbZnF(3) crystal

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	Theoretical studies of the spin-Hamiltonian parameters and defect structure for the tetragonal Gd(3+) center in cubic c-RbZnF(3) crystal
	W. C. Zheng; W. Q. Yang; H. G. Liu
	2011
发表期刊	Philosophical Magazine
ISSN	1478-6435
卷号	91 期号:31 页码:4045-4052
摘要	A diagonalization (of the energy matrix for which the Hamiltonian contains the free ion, crystal-field interaction and Zeeman interaction terms) method was applied to calculate the spin-Hamiltonian parameters (g factors, g(parallel to) and g(perpendicular to), and five zero-field splittings, b(m)(n)) for the tetragonal Gd(3+) center in cubic c-RbZnF(3) perovskite. The calculated results are in reasonable agreement with experimental values. From the calculation, the defect model that the tetragonal Gd(3+) center is attributed to Gd(3+) occupying the 12-fold coordinated Rb(+) site associated with a nearest Rb(+) vacancy, V(Rb), along C(4) axis owing to charge compensation is confirmed and the defect structural data of this Gd(3+) impurity center in c-RbZnF(3) are acquired. The results are discussed.
部门归属	[zheng wen-chen; yang wei-qing; liu hong-gang] sichuan univ, dept mat sci, chengdu 610064, peoples r china. [yang wei-qing] chengdu univ informat technol, dept photoelect technol, chengdu 610225, 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	Crystal Field Defect Structure Electron Paramagnetic Resonance C-rbznf(3) Gd(3+) Electron-paramagnetic-resonance Superposition-model Analysis Single-crystals Perovskite Fluorides Field Parameters Epr-spectra State Luminescence Kmgf3 Ions
URL	查看原文
文献类型	期刊论文
条目标识符	http://ir.imr.ac.cn/handle/321006/30974
专题	中国科学院金属研究所
推荐引用方式 GB/T 7714	W. C. Zheng,W. Q. Yang,H. G. Liu. Theoretical studies of the spin-Hamiltonian parameters and defect structure for the tetragonal Gd(3+) center in cubic c-RbZnF(3) crystal[J]. Philosophical Magazine,2011,91(31):4045-4052.
APA	W. C. Zheng,W. Q. Yang,&H. G. Liu.(2011).Theoretical studies of the spin-Hamiltonian parameters and defect structure for the tetragonal Gd(3+) center in cubic c-RbZnF(3) crystal.Philosophical Magazine,91(31),4045-4052.
MLA	W. C. Zheng,et al."Theoretical studies of the spin-Hamiltonian parameters and defect structure for the tetragonal Gd(3+) center in cubic c-RbZnF(3) crystal".Philosophical Magazine 91.31(2011):4045-4052.