Investigation on the spin-Hamiltonian parameters and defect structure for Co(2+) ions in Na(2)MgAlF(7) crystals

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	Investigation on the spin-Hamiltonian parameters and defect structure for Co(2+) ions in Na(2)MgAlF(7) crystals
	B. X. Li; W. C. Zheng; W. Q. Yang
	2010
发表期刊	Radiation Effects and Defects in Solids
ISSN	1042-0150
卷号	165 期号:1 页码:41228
摘要	This paper reports the theoretical calculations of spin-Hamiltonian (SH) parameters (g factors g(parallel to) and g perpendicular to and hyperfine structure constants A(parallel to) and A(perpendicular to)) for the approximately tetragonal Co(2+) center in Na(2)MgAlF(7):Co(2+) crystals from the second-order perturbation formulas based on the cluster approach for d(7) ions in tetragonal octahedra with the effective spin S = 1/2. In the calculations, the reduction in the spin-orbit parameters and the orbital reduction factors due to the dynamical Jahn-Teller effect is considered. The calculated SH parameters are in agreement with the experimental values. The defect structure of the Co(2+) center, which is consistent with the expectation based on the size of the impurity of the Co(2+), and that of the replaced Mg(2+), is obtained from the calculations. The results are discussed.
部门归属	[li, bang-xing; zheng, wen-chen; yang, wei-qing] sichuan univ, dept mat sci, chengdu 610064, peoples r china. [yang, wei-qing] chengdu univ informat technol, dept opt & elect, 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, peoples r china;zhengwc1@163.com
关键词	Electronic Paramagnetic Resonance Defect Structure Crystal-field Theory Co(2+) Na(2)Mgalf(7) Paramagnetic-resonance Epr Parameters Single-crystals Spectra Cr3++ Ferroelectrics Temperature Dependence Fluoride Cscacl3
URL	查看原文
文献类型	期刊论文
条目标识符	http://ir.imr.ac.cn/handle/321006/31199
专题	中国科学院金属研究所
推荐引用方式 GB/T 7714	B. X. Li,W. C. Zheng,W. Q. Yang. Investigation on the spin-Hamiltonian parameters and defect structure for Co(2+) ions in Na(2)MgAlF(7) crystals[J]. Radiation Effects and Defects in Solids,2010,165(1):41228.
APA	B. X. Li,W. C. Zheng,&W. Q. Yang.(2010).Investigation on the spin-Hamiltonian parameters and defect structure for Co(2+) ions in Na(2)MgAlF(7) crystals.Radiation Effects and Defects in Solids,165(1),41228.
MLA	B. X. Li,et al."Investigation on the spin-Hamiltonian parameters and defect structure for Co(2+) ions in Na(2)MgAlF(7) crystals".Radiation Effects and Defects in Solids 165.1(2010):41228.