掺入V^(3+)离子α-Al_2O_3晶体的基态精细光谱和晶体局域结构及J—T效应的研究

Research of dopingα-Al_2O_3 crystal with V^(3+) ion on spectral fine structure local structure and Jahn-Teller effect

应用晶体场理论和不可约张量算符方法构造了3d^2/3d^8态离子在C_(3v)对称晶场中包含自旋-轨道相互作用、自旋-自旋相互作用、自旋-其它轨道相互作用和其它轨道-其它轨道相互作用四种微观磁效应的完全能量哈密顿矩阵.利用该矩阵,计算了V^(3+):α-Al_2O_3晶体的光谱精细结构和晶体局域结构,进一步研究了V^(3+):α-Al_2O_3晶体的自旋-轨道相互作用、自旋-自旋相互作用、自旋-其它轨道相互作用和其它轨道-其它轨道相互作用和它们对光谱精细结构影响及Jahn-Teller效应.理论计算值和实验值相符合.结果发现,掺杂没有改变晶体的对称性、同时发现并合理解释了V^(3+)对α-Al_2O_3晶体基态精细光谱中J-T效应的存在机理.

The completely diagonalized Hamihonian matrixes of 3d2/3d8 ion configurations which in- eludes four kinds of microscopic magnetic interactions： spin-orbit interaction, spin-spin interaction, spin-other-orbit interaction and other orbit-other orbit interaction in the trigonal symmetry sites were es- tablished by means of crystal field theory and irreducible representation method. The spectral fine struc- ture and local structure of V3 ＋ ：α-A12O3 crystal were calculated by the Hamihonian matrixes. Spin-orbit interaction, spin-spin interaction, spin-other-orbit interaction, other-orbit-other-orbit interaction and their effects on the spectral fine structure and Jahn-Teller effect are all studied deeply. The calculated values were conformed with the experimental values. The results show that doping V3 ＋ ions can not change the symmetry of crystal structure. There is Jahn-Teller effect in V3＋ ： α-A12O3 crystal, mean- while, the Jahn-Teller effect in the spectral fine structure of V3＋ α-A12O3 crystal is found and ex- plained.