Effect of local structure on electron paramagnetic resonance spectra for trigonal Cr(H(2)O)(6) (3+) coordination complex in the sulfate alums series: a ligand field theory study
文献类型：期刊论文
| 作者 | Y. F. Li ; X. Y. Kuang ; M. L. Gao ; Y. R. Zhao ; H. Q. Wang |
| 刊名 | Chinese Physics B
 |
| 出版日期 | 2009 |
| 卷号 | 18期号:7页码:2967-2974 |
| 关键词 | complete energy matrices electron paramagnetic resonance (EPR) spectra local structure ground-state spin-resonance group disorder alpha-alums metal ions temperature pressure crystals cation epr |
| ISSN号 | 1674-1056 |
| 中文摘要 | A simple theoretical method is introduced for studying the inter relation between electronic and molecular structures. By diagonalizing the 120x120 complete energy matrices, the relationships between zero-field splitting (ZFS) parameter D and local distortion parameter Delta theta for Cr(3+) ions doped, separately, in alpha- and beta- alums are investigated. Our results indicate that there exists an approximately linear relationship between D and Delta theta in a temperature range 4.2-297 K and the signs of D and Delta theta are opposite to each other. Moreover, in order to understand the contribution of spin-orbit coupling coefficient zeta to ZFS parameter D, the relation between D and zeta is also discussed. |
| 原文出处 | |
| 公开日期 | 2012-04-13 |
| 源URL | [http://210.72.142.130/handle/321006/32047]  |
| 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. F. Li,X. Y. Kuang,M. L. Gao,et al. Effect of local structure on electron paramagnetic resonance spectra for trigonal Cr(H(2)O)(6) (3+) coordination complex in the sulfate alums series: a ligand field theory study[J]. Chinese Physics B,2009,18(7):2967-2974. |
| APA | Y. F. Li,X. Y. Kuang,M. L. Gao,Y. R. Zhao,&H. Q. Wang.(2009).Effect of local structure on electron paramagnetic resonance spectra for trigonal Cr(H(2)O)(6) (3+) coordination complex in the sulfate alums series: a ligand field theory study.Chinese Physics B,18(7),2967-2974. |
| MLA | Y. F. Li,et al."Effect of local structure on electron paramagnetic resonance spectra for trigonal Cr(H(2)O)(6) (3+) coordination complex in the sulfate alums series: a ligand field theory study".Chinese Physics B 18.7(2009):2967-2974. |
入库方式： OAI收割
来源：金属研究所
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