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应用不可约张量方法和群的理论构造了三角对称晶场中考虑自旋-轨道相互作用,自旋-自旋相互作用的3d3/3d7离子的可完全对角化的120阶微扰哈密顿矩阵,利用该矩阵计算了红宝石晶体的基态能级、零场分裂参量和Jahn-Teller效应,研究了自旋-轨道的自旋二重态对基态能级的贡献,证明其二重态对基态能级的贡献是不可忽略的,理论计算值与实验值相符合.在此基础上,进一步研究了自旋-自旋相互作用对红宝石晶体的光谱精细结构和零场分裂参量的影响,发现自旋-自旋相互作用对零场分裂参量的影响是不可忽略的.
The fully diagonalizable 120th-order perturbation of 3d3 / 3d7 ions taking into account the spin-orbit and spin-spin interactions in a trigonal symmetric crystal field is constructed by using the theory of irreducible tensor method and group theory. Matrix, the ground state energy level, zero-field splitting parameter and Jahn-Teller effect of ruby crystal were calculated by this matrix. The contribution of spin-orbit spin doublet state to the ground-state energy level was studied. The contribution of energy level is not negligible, and the theoretical calculated value is consistent with the experimental value.On the basis of this, the influence of spin-spin interaction on the spectral fine structure and zero-field splitting parameters of ruby crystal is further studied, The effect of spin-spin interaction on zero-field splitting parameters can not be neglected.