基于强场图像,采用点电荷-偶极子模型和双自旋-轨道耦合理论,建立了CsCdCl3:Ni2+晶体的局域结构与光吸收谱和电子顺磁共振(EPR)谱的关联公式.与以前的研究不同,我们在光吸收谱的计算中考虑了配体离子的自旋-轨道耦合作用的贡献,统一地解释了强场下CsCdCl3:Ni2+晶体的光学吸收谱、EPR谱及局域结构,所得理论结果与实验发现很好吻合.并讨论了所得结果的合理性.
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