Theoretical investigations of the local structures and spin Hamiltonian parameters for the trigonal Co(2+) centers in LiNbO(3) and LiTaO(3)
文献类型：期刊论文
| 作者 | S. Y. Wu ; G. D. Lu ; Z. H. Zhang ; L. H. Wei ; Y. X. Hu |
| 刊名 | Journal of Alloys and Compounds
 |
| 出版日期 | 2009 |
| 卷号 | 472期号:1-2页码:40913 |
| 关键词 | Inorganic materials Crystal and ligand fields Point defects Electron paramagnetic resonance electron-paramagnetic-resonance single-crystal wave-guides superposition model ions epr cr3+ impurities congruent lattices |
| ISSN号 | 0925-8388 |
| 中文摘要 | The local structures and spin Hamiltonian parameters (g factors g(parallel to), g(perpendicular to) and the hyperfine structure constants) for the trigonal Co(2+) centers in LiNbO(3) and LiTaO(3) are theoretically studied from diagonalization of the 6 x 6 energy matrix within (4)T(1) ground state for a 3d(7) ion under trigonal symmetry. The contributions from the admixtures of various J (=1/2, 3/2, 5/2) states and the ligand orbitals and spin-orbit coupling interactions, which were usually ignored in the previous studies, are taken into account in this work. From the calculations, the impurity Co(2+) is found not to occupy exactly the host Li(+) site but to undergo an off-center displacement 0.06 angstrom (or 0.03 angstrom) away from the oxygen octahedron center in LiNbO(3) (or LiTaO(3)). The theoretical spin Hamiltonian parameters based on the above local structures show good agreement with the experimental data. The various contributions to these parameters are also discussed. (C) 2008 Elsevier B.V. All rights reserved. |
| 原文出处 | |
| 公开日期 | 2012-04-13 |
| 源URL | [http://210.72.142.130/handle/321006/32429]  |
| 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 | S. Y. Wu,G. D. Lu,Z. H. Zhang,et al. Theoretical investigations of the local structures and spin Hamiltonian parameters for the trigonal Co(2+) centers in LiNbO(3) and LiTaO(3)[J]. Journal of Alloys and Compounds,2009,472(1-2):40913. |
| APA | S. Y. Wu,G. D. Lu,Z. H. Zhang,L. H. Wei,&Y. X. Hu.(2009).Theoretical investigations of the local structures and spin Hamiltonian parameters for the trigonal Co(2+) centers in LiNbO(3) and LiTaO(3).Journal of Alloys and Compounds,472(1-2),40913. |
| MLA | S. Y. Wu,et al."Theoretical investigations of the local structures and spin Hamiltonian parameters for the trigonal Co(2+) centers in LiNbO(3) and LiTaO(3)".Journal of Alloys and Compounds 472.1-2(2009):40913. |
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来源：金属研究所
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