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Studies of the defect structure from the calculations of optical and electron paramagnetic resonance spectra for Ni2+ centre in alpha-LiIO3 crystal
F. Wen-Lin; Z. Wen-Chen
2008
发表期刊Pramana-Journal of Physics
ISSN0304-4289
卷号71期号:3页码:573-578
摘要By calculating the optical spectrum band positions and EPR parameters (g factors, g(parallel to), g(perpendicular to) and zero-field splitting D) by diagonalizing the complete energy matrix of 3d(8) ions in trigonal symmetry, the defect structure of Ni2+ centre in alpha-LiIO3 crystal is studied. It is found that to reach the good fits of optical and EPR data between calculation and experiment, the Ni2+ ion should shift by Delta z approximate to 0.298 angstrom along C-3-axis and the O-2-ions between the Ni2+ ion and Li+ vacancy (V-Li) should be displaced away from the V-Li by Delta x approximate to 0.097 angstrom because of the electrostatic interaction. The results are discussed.
部门归属[wen-lin, feng; wen-chen, zheng] sichuan univ, dept mat sci, chengdu 610064, peoples r china. [wen-lin, feng] chongqing inst technol, dept appl phys, chongqing 400050, peoples r china. [wen-chen, zheng] chinese acad sci, int ctr mat phys, shenyang 110016, peoples r china.;wen-lin, f (reprint author), sichuan univ, dept mat sci, chengdu 610064, peoples r china;wenlinfeng@126.com
关键词Optical Spectra Electron Paramagnetic Resonance Defect Structure Ni2++ Alpha-liio3. Field Ions Cr3++ Temperature Parameters Epr Pressure Model Liio3
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WOS记录号WOS:000259801700010
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文献类型期刊论文
条目标识符http://ir.imr.ac.cn/handle/321006/33195
专题中国科学院金属研究所
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F. Wen-Lin,Z. Wen-Chen. Studies of the defect structure from the calculations of optical and electron paramagnetic resonance spectra for Ni2+ centre in alpha-LiIO3 crystal[J]. Pramana-Journal of Physics,2008,71(3):573-578.
APA F. Wen-Lin,&Z. Wen-Chen.(2008).Studies of the defect structure from the calculations of optical and electron paramagnetic resonance spectra for Ni2+ centre in alpha-LiIO3 crystal.Pramana-Journal of Physics,71(3),573-578.
MLA F. Wen-Lin,et al."Studies of the defect structure from the calculations of optical and electron paramagnetic resonance spectra for Ni2+ centre in alpha-LiIO3 crystal".Pramana-Journal of Physics 71.3(2008):573-578.
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