Studies on the local structure and the spin Hamiltonian parameters for the trigonal Mn2+ center in Bi4Ge3O12

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	Studies on the local structure and the spin Hamiltonian parameters for the trigonal Mn2+ center in Bi4Ge3O12
	X. F. Wang; S. Y. Wu; Z. H. Zhang; L. H. Wei; Y. X. Hua
	2008
发表期刊	Modern Physics Letters B
ISSN	0217-9849
卷号	22 期号:14 页码:1381-1387
摘要	The local structure and the spin Hamiltonian parameters (the zero-field splitting D, the g factors g parallel to, g perpendicular to and the hyperfine structure constants A// and A perpendicular to) for the trigonal Mn2+ center in Bi4Ge3O12 are theoretically studied from the perturbation formulas of these parameters for a 3d(5) ion in trigonal symmetry. The impurity Mn2+ replacing host Bi3+ is not found to occupy the exact Bi3+ site but to suffer a large off-center displacement by about 0.36 angstrom towards the center of the oxygen octahedron along the C-3-axis due to the size and charge mismatching substitution. The calculated spin Hamiltonian parameters based on the above displacement show good agreement with the observed values. The results and the mechanism of the impurity displacement are discussed.
部门归属	[wang, xue-feng; wu, shao-yi; zhang, zhi-hong; wei, li-hua; hua, yue-xia] univ elect sci & technol china, dept appl phys, chengdu 610054, peoples r china. [wu, shao-yi] chinese acad sci, int ctr mat phys, shenyang 110015, peoples r china.;wu, sy (reprint author), univ elect sci & technol china, dept appl phys, chengdu 610054, peoples r china
关键词	Electron Paramagnetic Resonance (Epr) Crystal-field Theory And Spin Hamiltonians Defect Structure Mn2++ Bi4ge3o12 Electron-paramagnetic-resonance Single-crystals Doped Bi4ge3o12 Superposition Model Microscopic Origin Ions Epr Impurities Behavior Fields
URL	查看原文
WOS记录号	WOS:000257380700003
引用统计	被引频次：9[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/321006/33153
专题	中国科学院金属研究所
推荐引用方式 GB/T 7714	X. F. Wang,S. Y. Wu,Z. H. Zhang,et al. Studies on the local structure and the spin Hamiltonian parameters for the trigonal Mn2+ center in Bi4Ge3O12[J]. Modern Physics Letters B,2008,22(14):1381-1387.
APA	X. F. Wang,S. Y. Wu,Z. H. Zhang,L. H. Wei,&Y. X. Hua.(2008).Studies on the local structure and the spin Hamiltonian parameters for the trigonal Mn2+ center in Bi4Ge3O12.Modern Physics Letters B,22(14),1381-1387.
MLA	X. F. Wang,et al."Studies on the local structure and the spin Hamiltonian parameters for the trigonal Mn2+ center in Bi4Ge3O12".Modern Physics Letters B 22.14(2008):1381-1387.