红宝石激光晶体零场分裂及其光谱精细结构研究

Zero-field Splitting and Optical Fine Structure in Ruby Laser Crystal

推导了 ｄ３（Ｃ＊３Ｖ）组态离子的中间场能量矩阵，建立了红宝石（Ｃｒ３＋：Ａｌ２Ｏ３）晶体基态４Ａ２零场分裂（ＺＦＳ）参量 Ｄ及２Ｅ态分裂△Ｅ（２Ｅ）与其晶体结构之间的定量关系；假设晶格畸变的基础上，统一地计算了 Ｃｒ３＋：Ａｌ２Ｏ３晶体的 ＺＦＳ参量 Ｄ、 Ｚｅｅｍａｎｇ因子、精细光谱及２Ｅ态的分裂△Ｅ（２Ｅ），计算结果与实验观测十分吻合．定量的研究结果表明：当Ｃｒ３＋离子掺入Ａｌ２Ｏ３晶体后，６个Ｏ２－配体向中心金属离子 Ｃｒ３＋移动 ０．００３２５ ｎｍ；同时，沿晶轴［１１１］方向，Ｃｒ３＋离子上方上三角晶位的三个Ｏ２－配体偏向 ［１１１］轴 ０．２８６°，而下三角晶位的三个 Ｏ２－配体偏向 ［１１１］轴１．１１８°．

In this paper,the intermediate field energy matrices of the double-valued group for d3 configuration are derived. The relationship among the crystal structure parameters, the ZFS parameter D and the splitting △E(2E) of the 2E state ill Cr3+:Al2O3 laser crystal are established. On the basis of the hypothesis of the crystal lattice distortion, the ZFS parameter D, Zeeman g factor, optical fine spectra, and the splitting △E(2E) of the 2E state are calculated, the obtained results are in good agreement with experiment data reported in the literatures. The results show quantitatively that the six O2- ligand moves towards the central Cr3+ ion by 0.00325 nm, meanwhile, the front three O2- of the Cr3+ rotate 0.286° toward [111] axis while the back three O2- rotate 1.118° toward it.