摘要
本文采用半自洽场(semi-SCF)3d轨道模型和μ-κ-α模型,利用完全对角化方法,建立了Oh、D4h对称晶体场局部结构参数与光谱精细结构、EPR谱之间的定量关系,统一解释了RbCdF3∶Ni2+晶体的光谱精细结构和EPR谱。所得理论结果与实验值符合很好。
In this work,according to the complete diagonalization procedure(CDP)and the Semi-SCF 3d-orbit model and the point charge-dipole μ-κ-α model,the relationship between the optical spectra,EPR spectra and the crystal microscopic local structure in Oh、D4h symmetry crystal fields is set up,the unknown and distorted crystal local structure parameter of RbCdF3∶Ni2+ are determined from spectral fine structure and the EPR spectra.The optical spectra and the EPR spectra of RbCdF3∶Ni2+ crystals can be interpreted uniformly.The theoretical results are in good agreement with experimental data.
出处
《人工晶体学报》
EI
CAS
CSCD
北大核心
2012年第1期248-252,共5页
Journal of Synthetic Crystals
基金
四川省教育厅青年基金(2009B041)和四川省教育厅自筹基金(2010ZC119)资助项目