Al_2O_3:Ni^(2+)晶体的局域结构研究

Investigation of the Crystal Local Structure of Al_2O_3:Ni^(2+)

应用配位场理论、微扰理论以及叠加模型,建立了零场分裂(Zero FieldSplitting)参量D与Al2O3:Ni2+晶体局域结构之间的关系式,并通过计算零场分裂参量D值,发现掺Ni2+离子的Al2O3晶体上、下三棱锥分别产生了沿C3轴的压缩畸变和伸长畸变,零场分裂参量计算结果与实验符合.

In this paper,we have established the internal relationship between the zero-field splitting parameter D and the local structure of Al_2O_3:Ni^(2+) by means of the ligand field theory,the perturbation theory and the superposition model.By calculation of the ZFS parameter D,we have found that there has occurred compressed distortion in the upper pyramid and elongated distortion in the lower one of the Al_2O_3:Ni^(2+) crystal along C_3 axis.The calculated value of ZFS parameter D agrees well with the experiment findings.