中文摘要：

2002年Scholz和Buzaré对蓝宝石晶体中Fe^3＋离子的基态分裂重新进行了EPR实验测量和研究,他们的初步分析表明在蓝宝石晶体中Fe^3＋离子的6A1基态分裂有可能同时与两个方向的畸变角（θ和φ）有关.本文采用对角化d5组态在C3点群对称下的252×252完全能量矩阵的方法,对蓝宝石晶体中Fe^3＋离子的光谱和EPR谱进行了系统的研究.计算结果表明蓝宝石体系中Fe^3＋离子的6A1基态分裂确实将明显依赖于两个方向的畸变角θ和φ,这一理论结果与Scholz和Buzaré等的实验相符合.同时,通过拟合Fe^3＋离子在蓝宝石体系中的实验光谱和EPR参量,确定了蓝宝石晶体中（FeO6）9团簇局域晶格畸变角θi的范围.

英文摘要：

Electron paramagnetic resonance（EPR） spectra for Fe^3＋in sapphire were measured and studied by Scholz and Buzaré in 2002.Their analysis shows that the ground-state splitting for Fe^3＋in sapphire may be associated with two distortion angles θ and φ.By diagonalizing 252×252 complete energy matrix for the d5confguration ion in C3 symmetry ligand-feld,in this paper a systematic investigation about the ground-state splitting for Fe^3＋in sapphire is given.Our results indicate that the6A1 ground-state splitting are sensitively dependent on the local lattice distortion along the two directions,respectively,which supports the Scholz and Buzaré＇s opinion.Meanwhile,by simulating the optical spectra and the EPR spectra for Fe^3＋in sapphire,the local lattice distortion parameter θi can be obtained.