Theoretical Investigations of the Local Structure Distortion and EPR Parameter for Ni2+-doped Perovskite Fluorides
- Received Date: 2010-11-25
- Complete energy matrix, Double spin-orbit coupling parameter model, Local structure distortion
Abstract: By analyzing the optical spectra and electron paramagnetic resonance parameter D, the local structure distortion of (NiF6)4- clusters in AMF3 (A=K, Rb; M=Zn, Cd, Ca) and K2ZnF4 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.
|Citation:||Xi-min Cao, Xiao-yu Kuang, Cheng-gang Li, Rui-peng Chai. Theoretical Investigations of the Local Structure Distortion and EPR Parameter for Ni2+-doped Perovskite Fluorides[J]. Chinese Journal of Chemical Physics , 2011, 24(2): 167-172. doi: 10.1088/1674-0068/24/02/167-172|