Investigations of the local structures and spin Hamiltonian parameters for the trigonal Rh4+ and Ir4+ centers in rhombohedral BaTiO3
文献类型：期刊论文
| 作者 | Wu, Shao-Yi1,2; Zhang, Hua-Ming1; Wang, Xue-Feng1; Hu, Yue-Xia1 |
| 刊名 | SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
 |
| 出版日期 | 2009-09-15 |
| 卷号 | 74期号:1页码:74-77 |
| 关键词 | Electron paramagnetic resonance Crystal-fields and spin Hamiltonians Rh4+ Ir4+ BaTiO3 |
| ISSN号 | 1386-1425 |
| DOI | 10.1016/j.saa.2009.05.013 |
| 通讯作者 | Wu, Shao-Yi(wushaoyi@netease.com) |
| 英文摘要 | The local structures and spin Hamiltonian parameters (g factors and the hyperfine structure constants) of the Rh4+(4d(5)) and Ir4+(5d(5)) centers in rhombohedral BaTiO3 are theoretically investigated from the formulas of these parameters for a nd(5) (n = 4 and 5) ion with low spin (S = 1/2) in a trigonally distorted octahedron. From the calculations, the impurity ions are found not to occupy exactly the host Ti4+ site in BaTiO3 but to suffer a slight inward shift (similar to 0.13 angstrom) towards the center of the oxygen octahedron along the C-3 axis, yielding much smaller trigonal distortion as compared with that of the host Ti4+ site. The theoretical spin Hamiltonian parameters based on the above impurity axial shifts are in good agreement with the observed values. (C) 2009 Elsevier B.V. All rights reserved. |
| 资助项目 | Support Program for Academic Excellence of UESTC |
| WOS研究方向 | Spectroscopy |
| 语种 | 英语 |
| WOS记录号 | WOS:000270065500012 |
| 出版者 | PERGAMON-ELSEVIER SCIENCE LTD |
| 资助机构 | Support Program for Academic Excellence of UESTC |
| 源URL | [http://ir.imr.ac.cn/handle/321006/97086]  |
| 专题 | 金属研究所_中国科学院金属研究所 |
| 通讯作者 | Wu, Shao-Yi |
| 作者单位 | 1.Univ Elect Sci & Technol China, Dept Appl Phys, Chengdu 610054, Peoples R China 2.Chinese Acad Sci, Int Ctr Mat Phys, Shenyang 110016, Peoples R China |
| 推荐引用方式 GB/T 7714 | Wu, Shao-Yi,Zhang, Hua-Ming,Wang, Xue-Feng,et al. Investigations of the local structures and spin Hamiltonian parameters for the trigonal Rh4+ and Ir4+ centers in rhombohedral BaTiO3[J]. SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY,2009,74(1):74-77. |
| APA | Wu, Shao-Yi,Zhang, Hua-Ming,Wang, Xue-Feng,&Hu, Yue-Xia.(2009).Investigations of the local structures and spin Hamiltonian parameters for the trigonal Rh4+ and Ir4+ centers in rhombohedral BaTiO3.SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY,74(1),74-77. |
| MLA | Wu, Shao-Yi,et al."Investigations of the local structures and spin Hamiltonian parameters for the trigonal Rh4+ and Ir4+ centers in rhombohedral BaTiO3".SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY 74.1(2009):74-77. |
入库方式： OAI收割
来源：金属研究所
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