Studies of EPR g factors for tetragonal and rhombic Cr5+centers in ferroelectric PbTiO3
文献类型：期刊论文
| 作者 | Y. G. Yang ; Y. Mei ; P. Su ; W. C. Zheng |
| 刊名 | Crystal Research and Technology
 |
| 出版日期 | 2012 |
| 卷号 | 47期号:1页码:39-44 |
| 关键词 | EPR spectrum defect model crystal field theory PbTiO3 electron-paramagnetic-resonance atomic screening constants temperature-dependence superposition model gyromagnetic factor crystal-field scf functions ions impurities complexes |
| ISSN号 | 0232-1300 |
| 中文摘要 | The anisotropic g factors (gx, gy, gz) at low temperature and the motionally averaged isotropic g factor at high temperature for two Cr5+ centers, the tetragonal t-Cr5+ center and the rhombic O-Cr5+ center, in ferroelectric PbTiO3 are calculated from the high-order perturbation formulas based on a two-mechanism model. In the model, the contributions to g factors from both the crystal-field (CF) mechanism concerning the CF excited states and the charge-transfer (CT) mechanism (which is neglected in CF theory) concerning the CT excited states are contained. The calculated results are in reasonable agreement with the experimental values. From the calculations, the defect models of t-Cr5+ center (which is attributed to Cr5+ in the tetragonally-compressed octahedron caused by Jahn-Teller effect rather than in the tetragonally-elongated octahedron in the host PbTiO3) and O-Cr5+ center (which is due to the t-Cr5+ center perturbated by the electrical polarization perpendicular to the C4 axis) are confirmed, and the defect structure of t-Cr5+ center is obtained. It is found that in the precise calculations of g factors for the high valence state d1 ions in crystals, both the contributions due to CF and CT mechanisms should be taken into account. (c) 2012 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim) |
| 原文出处 | |
| 公开日期 | 2013-02-05 |
| 源URL | [http://ir.imr.ac.cn/handle/321006/60402]  |
| 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 | Y. G. Yang,Y. Mei,P. Su,et al. Studies of EPR g factors for tetragonal and rhombic Cr5+centers in ferroelectric PbTiO3[J]. Crystal Research and Technology,2012,47(1):39-44. |
| APA | Y. G. Yang,Y. Mei,P. Su,&W. C. Zheng.(2012).Studies of EPR g factors for tetragonal and rhombic Cr5+centers in ferroelectric PbTiO3.Crystal Research and Technology,47(1),39-44. |
| MLA | Y. G. Yang,et al."Studies of EPR g factors for tetragonal and rhombic Cr5+centers in ferroelectric PbTiO3".Crystal Research and Technology 47.1(2012):39-44. |
入库方式： OAI收割
来源：金属研究所
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