摘要
本文对掺铬的GGG(Ca,Mg,Zr),GGG,YGG和YAG四种晶体进行了自旋极化的SCC-DV-X_α计算。首次报道了它们的10Dq计算值,与实验值符合得很好,并讨论了中心离子和配位体之间的距离与该计算值的关系。还计算得到了二重态~2E_3的能量值,从而阐明了YAG_2cr^(3+)只能发射窄带荧光,而GGG(Ca,Mg,Zr):Cr^(3+)能发射强的宽带荧光的机理。
This paper reports the spin-polarized SCC-DV-X_α calculation for the chromium doped crystals GGG(Ca, Mg, Zr), GGG, YGG, and YAG. The calculated values of 1OD_q for these crystals are reported for the first time, and are in good agreement with the experimental values. The relation between the calculated values of 10D_q and the distances between the central ions and the ligand ions is discussed. The energy values of the doublet state ~2E_g are also obtained, and the reasons why YAG: Crs^(2+) emits only narrow-band fluorescence whereas GGG(Ca, Mg, Zr): Cr^(3+) emits wide-band fluorescence are explained.
出处
《硅酸盐学报》
EI
CAS
CSCD
北大核心
1990年第2期137-141,共5页
Journal of The Chinese Ceramic Society
基金
国家自然科学基金
关键词
石榴石
激光晶体
电子结构
晶场
铬
garnet laser crystals
electronic structures
crystal field strength
