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BeAl2O4:Cr3+的能谱和R1线压力移位的理论计算
引用本文:张国强,张纪平.BeAl2O4:Cr3+的能谱和R1线压力移位的理论计算[J].原子与分子物理学报,2010,27(2):383-388.
作者姓名:张国强  张纪平
作者单位:四川大学物理科学与技术学院,成都,610064 
摘    要:采用强场方案和三角基,通过对角化三角畸变立方场的d3电子组态完全能量矩阵,拟合得到BeAl2O4:Cr3+的能谱和波函数.利用获得的波函数,计算出了基态g因子和R1 、R2线能谱压致移位值,计算值和实验结果相符合.各参数对能级压力移位率的影响也被定量计算,揭示了R1和R2线压力移位的物理起源.

关 键 词:晶体场  能谱  g因子  压力移位
修稿时间:1/7/2010 12:00:00 AM

Theoretical Calculation of Optical Spectra and R1-line Shift of BeAl2O4:Cr3+
zhang guo-qiang and zhang ji-ping.Theoretical Calculation of Optical Spectra and R1-line Shift of BeAl2O4:Cr3+[J].Journal of Atomic and Molecular Physics,2010,27(2):383-388.
Authors:zhang guo-qiang and zhang ji-ping
Institution:Sichuan University,College of Physical Science and Technology, Sichuan University
Abstract:With the strong-field scheme and the trigonal bases, by diagonalizing the complete d3 energy matrix in a trigonally distorted cubic-field, the energy spectra and wavefunctions of BeAl2O4:Cr3+ have been calculated. By using the wavefunctions, the g factors of the ground state and the pressure induced shift (PS) of the spectral levels have been evaluated and the calculated results are all in good agreement with the experimental data. The contributions to the rates of pressure induced shift from various parameters are calculated. The physical origins of R1 line have been clearly and quantitatively shown.
Keywords:Key words: crystal fields  energy spectrum  g factor  pressure induced shift
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