Investigations on the defect structures and the g factors for the two orthorhombic Ti3+ centers in CaYAlO4
文献类型：期刊论文
| 作者 | S. Y. Wu ; J. Z. Lin ; Q. Fu ; H. N. Dong |
| 刊名 | Spectrochimica Acta Part a-Molecular and Biomolecular Spectroscopy
 |
| 出版日期 | 2008 |
| 卷号 | 69期号:3页码:921-925 |
| 关键词 | defect structure electron paramagnetic resonance (EPR) crystal- and ligand-field theory Ti3+ CaYAlO4 electron-paramagnetic-resonance atomic screening constants optical-spectra substitutional disorder superposition model scf functions crystal ions cr3+cayalo4 yalo3 |
| ISSN号 | 1386-1425 |
| 中文摘要 | The defect structures and the g factors for the two orthorhombic Ti3+ centers (A and B) in CaYAlO4 are theoretically investigated from the perturbation formulas of the g factors g, g, and g for a 3d(1) ion in orthorhombically distorted octahedra. The centers may be attributed to V, locating on the Al3+ site associated with one nearest-neighbouring oxygen vacancy (V-O) along the z (or c) axis and additional next-nearest-neighbouring Ti4+ replacing the host Al3+ (Ti-Al, i.e., center A) or Al3+, vacancy (V-Al, i.e., center B) perpendicular to the c axis, respectively. Due to the electrostatic interactions arising from the local charge mismatch, the central Ti3+ undergoes a large displacement Delta Z away from the V-O in the c axis, while the ligand O2- intervening in the Ti3+ and TiAl (or V-Al suffers a small outward (or inward) shift Delta X in the corresponding c plane related to the center of oxygen octahedron. The theoretical g factors for both centers based on the above displacements are in reasonable agreement with the observed values. (C) 2007 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/321006/33209]  |
| 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,J. Z. Lin,Q. Fu,et al. Investigations on the defect structures and the g factors for the two orthorhombic Ti3+ centers in CaYAlO4[J]. Spectrochimica Acta Part a-Molecular and Biomolecular Spectroscopy,2008,69(3):921-925. |
| APA | S. Y. Wu,J. Z. Lin,Q. Fu,&H. N. Dong.(2008).Investigations on the defect structures and the g factors for the two orthorhombic Ti3+ centers in CaYAlO4.Spectrochimica Acta Part a-Molecular and Biomolecular Spectroscopy,69(3),921-925. |
| MLA | S. Y. Wu,et al."Investigations on the defect structures and the g factors for the two orthorhombic Ti3+ centers in CaYAlO4".Spectrochimica Acta Part a-Molecular and Biomolecular Spectroscopy 69.3(2008):921-925. |
入库方式： OAI收割
来源：金属研究所
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