绿宝石晶体电子精细光谱及其基态^4A2的EPR参量研究

利用完全能量矩阵，结合自旋Ｈａｍｉｌｔｏｎｉａｎ理论，研究了Ｃｒ３＋：Ｂｅ３Ａｌ２（ＳｉＯ３）６（绿宝石）晶体的吸收光谱，Ｗ论与实验十分吻合；在此基础上研究了基态４Ａ２的ＥＰＲ（电子顺磁共振）参量（Ｄ及ｇ，ｇ）与２Ｅ态双重话线结构的微观起源，成功地解释了长期未能解决的基态零场分裂（ＺＦＳ），并证实了２Ｅ态大约６３ｃｍ－１的能级分裂．指认４１３２０ｃｍ－１处的光谱为４Ａ２→２Ａ２跃迁的自施禁戒光谱，而并非自旋允许光谱．

Researches of Electronic Fine-spectra and EPR Para meters of ~4A_2 Ground-state in Emerald

ln this paper, the electronic fine-spectra. of Cr3+:Be3Al2(SiO3)6(emcrald)crystal have been studingin in temms of the full energy matriccs and spin Hamiltoniantheory, the calculated result has agreed well. with the expcrimental findings. On thisbasis, tile microscopic origin of the EPR parameters ans the splitting of 2E statehave been studied, the ZFS of the ground state 4A2 has beed intcrpreted first, andthe splitting about 63 cm-1 for 2E state is verified. We point out that the spectrain 41320 cm-1 is not the spin allowed spectra, but the spin forbidden spectra of(4A2 -2A2) trallsition.