Investigations of the local structures and spin Hamiltonian parameters for the trigonal Rh(4+) and Ir(4+) centers in rhombohedral BaTiO(3)
文献类型：期刊论文
| 作者 | S. Y. Wu ; H. M. Zhang ; X. F. Wang ; Y. X. Hu |
| 刊名 | Spectrochimica Acta Part a-Molecular and Biomolecular Spectroscopy
 |
| 出版日期 | 2009 |
| 卷号 | 74期号:1页码:74-77 |
| 关键词 | Electron paramagnetic resonance Crystal-fields and spin Hamiltonians Rh(4+) Ir(4+) BaTiO(3) atomic screening constants field energy-levels crystal-field paramagnetic-resonance electronic-properties symmetry sites scf functions g tensor linbo3 ions |
| ISSN号 | 1386-1425 |
| 中文摘要 | The local structures and spin Hamiltonian parameters (g factors and the hyperfine structure constants) of the Rh(4+)(4d(5)) and Ir(4+)(5d(5)) centers in rhombohedral BaTiO(3) 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 Ti(4+) site in BaTiO(3) 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 Ti(4+) 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. |
| 原文出处 | |
| 公开日期 | 2012-04-13 |
| 源URL | [http://210.72.142.130/handle/321006/32434]  |
| 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. M. Zhang,X. F. Wang,et al. Investigations of the local structures and spin Hamiltonian parameters for the trigonal Rh(4+) and Ir(4+) centers in rhombohedral BaTiO(3)[J]. Spectrochimica Acta Part a-Molecular and Biomolecular Spectroscopy,2009,74(1):74-77. |
| APA | S. Y. Wu,H. M. Zhang,X. F. Wang,&Y. X. Hu.(2009).Investigations of the local structures and spin Hamiltonian parameters for the trigonal Rh(4+) and Ir(4+) centers in rhombohedral BaTiO(3).Spectrochimica Acta Part a-Molecular and Biomolecular Spectroscopy,74(1),74-77. |
| MLA | S. Y. Wu,et al."Investigations of the local structures and spin Hamiltonian parameters for the trigonal Rh(4+) and Ir(4+) centers in rhombohedral BaTiO(3)".Spectrochimica Acta Part a-Molecular and Biomolecular Spectroscopy 74.1(2009):74-77. |
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来源：金属研究所
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