Theoretical studies on the local structure and spin Hamiltonian parameters for the orthorhombic Cu2+ center in LiNbO3
文献类型：期刊论文
| 作者 | M. Q. Kuang ; S. Y. Wu ; H. M. Zhang |
| 刊名 | Optik
 |
| 出版日期 | 2012 |
| 卷号 | 123期号:18页码:1601-1604 |
| 关键词 | Electron paramagnetic resonance Defect structures Crystal fields and spin Hamiltonians Cu2+ LiNbO3 superposition model single-crystals congruent linbo3 epr data ions defects litao3 co2+ cr3+ hyperfine |
| ISSN号 | 0030-4026 |
| 中文摘要 | The local structure and spin Hamiltonian parameters (the g factors and the hyperfine structure constants) for the orthorhombic Cu2+ center in LiNbO3 are theoretically studied from the perturbation formulas of these parameters for a 3d(9) ion in an orthorhombically elongated octahedron. This center is ascribed to Cu2+ occupying the Nb5+ site in LiNbO3, associated with one nearest neighbour oxygen vacancy V-O along the Z axis. The planar bond lengths are found to suffer the relative variation of about 0.16 angstrom by compressing and stretching the Cu2+-O2- bonds along the X and Y axes, respectively, due to the Jahn-Teller effect and the charge mismatching substitution of Nb5+ by Cu2+. Meanwhile, the effectively positive V-O can make the central Cu2+ displace away from the V-O along the Z axis by about 0.3 angstrom. The theoretical spin Hamiltonian parameters based on the above local distortions show good agreement with the experimental data. (C) 2011 Elsevier GmbH. All rights reserved. |
| 原文出处 | |
| 公开日期 | 2013-02-05 |
| 源URL | [http://ir.imr.ac.cn/handle/321006/60039]  |
| 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 | M. Q. Kuang,S. Y. Wu,H. M. Zhang. Theoretical studies on the local structure and spin Hamiltonian parameters for the orthorhombic Cu2+ center in LiNbO3[J]. Optik,2012,123(18):1601-1604. |
| APA | M. Q. Kuang,S. Y. Wu,&H. M. Zhang.(2012).Theoretical studies on the local structure and spin Hamiltonian parameters for the orthorhombic Cu2+ center in LiNbO3.Optik,123(18),1601-1604. |
| MLA | M. Q. Kuang,et al."Theoretical studies on the local structure and spin Hamiltonian parameters for the orthorhombic Cu2+ center in LiNbO3".Optik 123.18(2012):1601-1604. |
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来源：金属研究所
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