Theoretical studies of the spin-Hamiltonian parameters and defect structure for the tetragonal Gd3+ center in cubic c-RbZnF3 crystal

doi:10.1080/14786435.2011.591293

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	Theoretical studies of the spin-Hamiltonian parameters and defect structure for the tetragonal Gd3+ center in cubic c-RbZnF3 crystal
	Zheng Wen-Chen 1,3; Yang Wei-Qing 1,2; Liu Hong-Gang 1
通讯作者	Zheng Wen-Chen(zhengwc1@163.com)
	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 Gd3+ center in cubic c-RbZnF3 perovskite. The calculated results are in reasonable agreement with experimental values. From the calculation, the defect model that the tetragonal Gd3+ center is attributed to Gd3+ 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 Gd3+ impurity center in c-RbZnF3 are acquired. The results are discussed.
关键词	crystal field defect structure electron paramagnetic resonance c-RbZnF3 Gd3+
资助者	ICMP, CAS
DOI	10.1080/14786435.2011.591293
收录类别	SCI
语种	英语
资助项目	ICMP, CAS[ICMP 2009001]
WOS研究方向	Materials Science ; Mechanics ; Metallurgy & Metallurgical Engineering ; Physics
WOS类目	Materials Science, Multidisciplinary ; Mechanics ; Metallurgy & Metallurgical Engineering ; Physics, Applied ; Physics, Condensed Matter
WOS记录号	WOS:000298584500006
出版者	TAYLOR & FRANCIS LTD
引用统计	被引频次：6[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/321006/103468
专题	中国科学院金属研究所
通讯作者	Zheng Wen-Chen
作者单位	1.Sichuan Univ, Dept Mat Sci, Chengdu 610064, Peoples R China 2.Chengdu Univ Informat Technol, Dept Photoelect Technol, Chengdu 610225, Peoples R China 3.Chinese Acad Sci, Int Ctr Mat Phys, Shenyang 110016, Peoples R China
推荐引用方式 GB/T 7714	Zheng Wen-Chen,Yang Wei-Qing,Liu Hong-Gang. Theoretical studies of the spin-Hamiltonian parameters and defect structure for the tetragonal Gd3+ center in cubic c-RbZnF3 crystal[J]. PHILOSOPHICAL MAGAZINE,2011,91(31):4045-4052.
APA	Zheng Wen-Chen,Yang Wei-Qing,&Liu Hong-Gang.(2011).Theoretical studies of the spin-Hamiltonian parameters and defect structure for the tetragonal Gd3+ center in cubic c-RbZnF3 crystal.PHILOSOPHICAL MAGAZINE,91(31),4045-4052.
MLA	Zheng Wen-Chen,et al."Theoretical studies of the spin-Hamiltonian parameters and defect structure for the tetragonal Gd3+ center in cubic c-RbZnF3 crystal".PHILOSOPHICAL MAGAZINE 91.31(2011):4045-4052.