Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
5376014 | Chemical Physics | 2008 | 4 Pages |
Abstract
The hyperfine structure constant A of central ion and the superhyperfine parameters Aâ² and Bâ² of ligands for Co2+ in LiBaF3, KMgF3, KZnF3 and CsCdF3 are theoretically studied from a cluster approach based on the weak field scheme. The unpaired spin densities for the fluorine 2s, 2pÏ and 2pÏ orbitals are quantitatively calculated from the molecular orbital and mixing interaction coefficients based on the cluster approach. The experimental A, Aâ² and Bâ² as well as the g factor for Co2+ in these fluoroperovskites are satisfactorily explained in a uniform way. The results are discussed.
Keywords
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
Shao-Yi Wu, Zhi-Hong Zhang, Li-Hua Wei, Hui Wang, Yue-Xia Hu,