| 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
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| 2008
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发表期刊 | Pramana-Journal of Physics
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ISSN | 0304-4289
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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
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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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URL | 查看原文
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WOS记录号 | WOS:000259801700010
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引用统计 |
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文献类型 | 期刊论文
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条目标识符 | http://ir.imr.ac.cn/handle/321006/33195
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专题 | 中国科学院金属研究所
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推荐引用方式 GB/T 7714 |
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.
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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.
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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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