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应用不可约张量法和群的理论构造了三角对称晶场中3d3/3d7态离子的可完全对角化的120阶微扰哈密顿矩阵。矩阵中考虑了自旋-轨道相互作用,自旋-自旋相互作用和自旋-其他轨道相互作用,利用该矩阵计算了YAG∶Cr3+晶体的基态能级、零场分裂参量,研究了自旋二重态对基态能级的贡献,理论计算值与实验值相符合,证明二重态对基态的贡献是不可忽略的。在此基础上,进一步研究了自旋-轨道相互作用、自旋-自旋相互作用和自旋-其他轨道相互作用对YAG∶Cr3+晶体的光谱精细结构和零场分裂参量的影响,发现自旋-自旋和自旋-其他轨道相互作用对YAG晶体基态光谱精细结构和零场分裂参量的影响都是不可忽略的。通过理论计算值和实验值的比较,证实了在YAG∶Cr3+晶体光谱中扬-特勒效应的存在。
The fully diagonalized 120th order perturbation Hamiltonian matrix of 3d3 / 3d7 state ions in a trigonal symmetric crystal field is constructed by applying the theory of irreducible tensor and group. Taking into account the spin-orbit interaction, spin-spin interaction and spin-orbit interaction in the matrix, the ground-state energy level and zero-field splitting parameters of YAG: Cr3 + The contribution of the doublet state to the ground state energy level, the theoretical calculated value and the experimental value are consistent, and the contribution of the doublet state to the ground state can not be neglected. On this basis, we further study the effects of spin-orbit interaction, spin-spin interaction and spin-orbit interaction on the spectral fine structure and zero-field splitting parameters of YAG: Cr3 + - Spin and spin - other orbital interactions on YAG crystal ground state spectral fine structure and zero field splitting parameters are not negligible. The comparison between the theoretical calculation and the experimental data confirms the existence of the Young-Teller effect in the YAG: Cr3 + crystal.