Investigation of the spin Hamiltonian parameters and the local structure of two Ni3+ centers in KTaO3
文献类型：期刊论文
| 作者 | S. Y. Wu ; H. N. Dong ; W. H. Wei |
| 刊名 | Zeitschrift Fur Naturforschung Section a-a Journal of Physical Sciences
 |
| 出版日期 | 2004 |
| 卷号 | 59期号:4-5页码:203-208 |
| 关键词 | electron paramagnetic resonance defect structures crystal- and ligand-field theory Ni3+ KTaO3 nominally pure ktao3 atomic screening constants superposition model scf functions crystals impurities resonance knbo3 sites raman |
| ISSN号 | 0932-0784 |
| 中文摘要 | The spin Hamiltonian anisotropic g factors g(parallel to) and g(perpendicular to) and the local structures of the Ni3+ centers I and II in K TaO3 are theoretically investigated by using the perturbation formulas of the spin Hamiltonian parameters for 3d(7) ions in tetragonally distorted octahedrons and dodecahedrons. By analyzing the electron paramagnetic resonance data of the studied systems, the centers I and II can be attributed to Ni3+ ions occupying octahedral Ta5+ (associated with a nearest-neighbour oxygen vacancy V-O along the C-4 axis) and the dodecahedral K+ (associated with a nearest-neighbour interstitial oxygen O-I along the C-4 axis) sites, respectively. Based on these studies, it is found that at the center I the impurity Ni3+ is displaced away from V-O by DeltaZ(I) approximate to -0.31(2) Angstrom along the C-4 axis. At the center II a large off-center displacement, DeltaZ(II) approximate to 1. 12(2) Angstrom, towards the O-I along the C-4 axis is obtained, due to Ni3+ -O-I covalent bonding. |
| 原文出处 | |
| 公开日期 | 2012-04-14 |
| 源URL | [http://ir.imr.ac.cn/handle/321006/35631]  |
| 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,H. N. Dong,W. H. Wei. Investigation of the spin Hamiltonian parameters and the local structure of two Ni3+ centers in KTaO3[J]. Zeitschrift Fur Naturforschung Section a-a Journal of Physical Sciences,2004,59(4-5):203-208. |
| APA | S. Y. Wu,H. N. Dong,&W. H. Wei.(2004).Investigation of the spin Hamiltonian parameters and the local structure of two Ni3+ centers in KTaO3.Zeitschrift Fur Naturforschung Section a-a Journal of Physical Sciences,59(4-5),203-208. |
| MLA | S. Y. Wu,et al."Investigation of the spin Hamiltonian parameters and the local structure of two Ni3+ centers in KTaO3".Zeitschrift Fur Naturforschung Section a-a Journal of Physical Sciences 59.4-5(2004):203-208. |
入库方式： OAI收割
来源：金属研究所
浏览0
下载0
收藏0
其他版本
除非特别说明，本系统中所有内容都受版权保护，并保留所有权利。