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本文对Bis(L-asparaginato)Zinc(II):Mn2+晶体中Mn2+电子顺磁共振的g因子和零场分裂参量D、E,采用半自洽场3d轨道模型、点电荷模型和平均共价因子模型计算.理论计算数值与实验值符合很好.
In this paper, the g-factor and zero-field splitting parameters D and E of Mn2 + in Bis (L-asparaginato) Zinc (II): Mn2 + crystal are characterized by semi-self-consistent field 3d orbital model, point charge model and average covalency factor Model calculation The theoretical calculation value is in good agreement with the experimental value.