Theoretical study of electron paramagnetic resonance spectrum and local lattice distortion for Mn2+ in Al2O3 : Mn2+ system
文献类型：期刊论文
| 作者 | A. J. Mao ; J. F. Li ; X. Y. Kuang ; H. Wang ; X. M. Tan |
| 刊名 | Journal of Magnetism and Magnetic Materials
 |
| 出版日期 | 2006 |
| 卷号 | 306期号:1页码:130-134 |
| 关键词 | ligand-field theory EPR spectrum Al2O3 : Mn2+ system zero-field splittings d-orbital theory optical-spectra 3d(5) ions crystal fields spin epr manganese pressure corundum |
| ISSN号 | 0304-8853 |
| 中文摘要 | Electron paramagnetic resonance spectrum and local lattice distortion for Mn2+ ion in Al2O3:Mn2+ system have been studied by means of the complete energy matrices for electron-electron repulsion, spin-orbit coupling and ligand-field interactions. It is shown that the local lattice structure around Mn2+ ion in Al2O3:Mn2+ system exhibits an elongation distortion in the local lattice structure. The elongation distortion may be ascribed to the facts that the radius of Mn2+ is larger than that of the host ion Al3+, and the Mn2+ ion will push the oxygen ligands outwards. By simulating the second- and fourth-order EPR parameters D and (a-F) simultaneously, the bond length of the upper and lower oxygen triangle R-1 = 2.112-2.137 A, R-2 = 2.003-2.028 A, and the angles between the chemical bond length and C-3 axis theta(1) = 52.944-52.950 degrees, theta(2) = 57.910-57.960 degrees are determined. Furthermore, the displacements Delta Z(1) = 0.2225-0.2345 A for transition-metal ion and Delta Z(2) = 0.171-0.198 A for the distance variation between the two oxygen planes are derived. (C) 2006 Elsevier B.V. All rights reserved. |
| 原文出处 | |
| 公开日期 | 2012-04-14 |
| 源URL | [http://ir.imr.ac.cn/handle/321006/34401]  |
| 专题 | 金属研究所_中国科学院金属研究所 |
| 推荐引用方式 GB/T 7714 | A. J. Mao,J. F. Li,X. Y. Kuang,et al. Theoretical study of electron paramagnetic resonance spectrum and local lattice distortion for Mn2+ in Al2O3 : Mn2+ system[J]. Journal of Magnetism and Magnetic Materials,2006,306(1):130-134. |
| APA | A. J. Mao,J. F. Li,X. Y. Kuang,H. Wang,&X. M. Tan.(2006).Theoretical study of electron paramagnetic resonance spectrum and local lattice distortion for Mn2+ in Al2O3 : Mn2+ system.Journal of Magnetism and Magnetic Materials,306(1),130-134. |
| MLA | A. J. Mao,et al."Theoretical study of electron paramagnetic resonance spectrum and local lattice distortion for Mn2+ in Al2O3 : Mn2+ system".Journal of Magnetism and Magnetic Materials 306.1(2006):130-134. |
入库方式： OAI收割
来源：金属研究所
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