Theoretical evaluation of the electron paramagnetic resonance spin Hamiltonian parameters for the impurity displacements for Fe3+ and Ru3+ in corundum

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	Theoretical evaluation of the electron paramagnetic resonance spin Hamiltonian parameters for the impurity displacements for Fe3+ and Ru3+ in corundum
	Q. Fu; S. Y. Wu; J. Z. Lin; J. S. Yao
	2007
发表期刊	Pramana-Journal of Physics
ISSN	0304-4289
卷号	68 期号:3 页码:499-506
摘要	The impurity displacements for Fe3+ and Ru3+ in corundum (Al2O3) are theoretically studied using the perturbation formulas of the spin Hamiltonian parameters (zero-field splitting and anisotropic g factors) for a 3d(5) (with high spin S = 5/2) and a 4d(5) (with low spin S = 1/2) ion in trigonal symmetry, respectively. According to the investigations, the nd(5) (n = 3 and 4) impurity ions may not locate at the ideal Al3+ site but undergo axial displacements by about 0.132 angstrom and 0.170 angstrom for Fe3+ and Ru3+, respectively, away from the center of the ligand octahedron along the C-3 axis. The calculated spin Hamiltonian parameters based on the above axial displacements show good agreement with the observed values. The validity of the results is discussed.
部门归属	univ elect sci & technol china, dept appl phys, chengdu 610054, peoples r china. chinese acad sci, int ctr mat phys, shenyang 110016, peoples r china.;wu, sy (reprint author), univ elect sci & technol china, dept appl phys, chengdu 610054, peoples r china;shaoyi_wu@163.com
关键词	Defect Structures Electron Paramagnetic Resonance (Epr) Crystal Fields And Spin Hamiltonians Fe3++ Ru3++ Corundum Transition-metal Ions Optical-spectra Crystal-field Al2o3 Crystal Symmetry Ruby Sapphire Linbo3 Sites
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WOS记录号	WOS:000245219900013
引用统计	被引频次：4[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/321006/33540
专题	中国科学院金属研究所
推荐引用方式 GB/T 7714	Q. Fu,S. Y. Wu,J. Z. Lin,et al. Theoretical evaluation of the electron paramagnetic resonance spin Hamiltonian parameters for the impurity displacements for Fe3+ and Ru3+ in corundum[J]. Pramana-Journal of Physics,2007,68(3):499-506.
APA	Q. Fu,S. Y. Wu,J. Z. Lin,&J. S. Yao.(2007).Theoretical evaluation of the electron paramagnetic resonance spin Hamiltonian parameters for the impurity displacements for Fe3+ and Ru3+ in corundum.Pramana-Journal of Physics,68(3),499-506.
MLA	Q. Fu,et al."Theoretical evaluation of the electron paramagnetic resonance spin Hamiltonian parameters for the impurity displacements for Fe3+ and Ru3+ in corundum".Pramana-Journal of Physics 68.3(2007):499-506.