摘要
Based on the 3D electron's radial wave function of Co 2+ free ion,a Nephelauxetic effect modifying factor to modify the radial wave function is introduced when Co 2+ cations are put into the crystal field of Zn 1-x Co x Se.With the modified wave functions,the optical transitions for Zn 1-x Co x Se crystals are calculated.Moreover,based on the first principle of physics,the influences of high pressure to the Nephelauxetic effect modifying factor is considered,and the high pressure blue shift for the Zn 1-x Co x Se crystal absorption spectra are calculated and a shift rate of d E /d p =0 45meV/GPa is obtained.
通过对 Co2 + 自由离子的 3D电子径向波函数进行分析 ,引入了一个电子云延伸效应修正因子κ来修正这一波函数 ,从而得到了稀磁半导体 Zn1 - x Cox Se晶体中 Co2 + 受到了晶体场作用的 3D电子径向波函数 .应用这一修正后的波函数 ,计算了 Zn1 - x Cox Se晶体的光谱跃迁 .从物理学的本质出发 ,考虑了高压力对电子云延伸效应修正因子κ的影响 ,并且计算了 Zn1 - x Cox Se晶体吸收谱的压力蓝移谱 ,得到的蓝移率为 d E/ dp=0 .4 5 m e V /
基金
江西师范大学校管课题资助项目 (No.0 2 10 0 7)~~
