| Theoretical Investigations of the Local Structure Distortion and EPR Parameter for Ni(2+)-doped Perovskite Fluorides | |
| X. M. Cao; X. Y. Kuang; C. G. Li; R. P. Chai | |
| 2011 | |
| Source Publication | Chinese Journal of Chemical Physics
 |
| ISSN | 1674-0068 |
| Volume | 24Issue:2Pages:167-172 |
| Abstract | By analyzing the optical spectra and electron paramagnetic resonance parameter D, the local structure distortion of (NiF(6))(4-) clusters in AMF(3) (A=K, Rb; M=Zn, Cd, Ca) and K(2)ZnF(4) series are studied using the complete energy matrix based on the double spin-orbit coupling parameter model for configuration ions in a tetragonal ligand field. The results indicate that the contribution of ligand to spin-orbit coupling interaction should be considered for our studied systems. Moreover, the relationships between D and the spin-obit coupling coefficients as well as the average parameter and the divergent parameter are discussed. |
| description.department | [cao, xi-min; kuang, xiao-yu; li, cheng-gang; chai, rui-peng] sichuan univ, inst atom & mol phys, chengdu 610065, peoples r china. [kuang, xiao-yu] chinese acad sci, int ctr mat phys, shenyang 110016, peoples r china.;kuang, xy (reprint author), sichuan univ, inst atom & mol phys, chengdu 610065, peoples r china, peoples r china;scu_kxy@163.com |
| Keyword | Complete Energy Matrix Double Spin-orbit Coupling Parameter Model Local Structure Distortion Electron-paramagnetic-resonance Atomic Screening Constants Scf Functions Ligand-field Ni-2++ Ions Kznf3 Rbcdf3 Ni2 Crystals Clusters |
| URL | 查看原文 |
| Document Type | 期刊论文 |
| Identifier | http://ir.imr.ac.cn/handle/321006/30244 |
| Collection | 中国科学院金属研究所 |
| Recommended Citation GB/T 7714 | X. M. Cao,X. Y. Kuang,C. G. Li,et al. Theoretical Investigations of the Local Structure Distortion and EPR Parameter for Ni(2+)-doped Perovskite Fluorides[J]. Chinese Journal of Chemical Physics,2011,24(2):167-172. |
| APA | X. M. Cao,X. Y. Kuang,C. G. Li,&R. P. Chai.(2011).Theoretical Investigations of the Local Structure Distortion and EPR Parameter for Ni(2+)-doped Perovskite Fluorides.Chinese Journal of Chemical Physics,24(2),167-172. |
| MLA | X. M. Cao,et al."Theoretical Investigations of the Local Structure Distortion and EPR Parameter for Ni(2+)-doped Perovskite Fluorides".Chinese Journal of Chemical Physics 24.2(2011):167-172. |
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