本文采用半自洽场(semi-SCF) 3d轨道模型和μ-K-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.
参考文献
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