Microscopic Theoretical Calculations of R—Line Thermal Shifts and Broadenings of MgO：Cr^3＋  

作　　者：MADong－Ping LIUYan－Yun 等 

机构地区：[1]DepartmentofAppliedPhysics,SichuanUniversity,Chengdu610065,China

出　　处：《Communications in Theoretical Physics》2002年第3期373-380,共8页理论物理通讯（英文版）

摘　　要：By taking into account all the irreducible representations and their components in the electron-phonon interaction (EPI) as well as all the levels and the admixtures of basic wavefunctions within d<SUP>3</SUP> electronic configuration, the values of all the parameters in the expressions of thermal shift (TS) and thermal broadening (TB) due to EPI for the ground level, R level and R line of MgO:Cr<SUP>3+</SUP> have microscopically been evaluated; and then, TS and TB of R line and various contributions to them have uniformly been calculated. The results are in very good agreement with the experimental data. It is found that all the three terms of TS due to EPI are red shifts; the Raman term is the largest one, and the optical-branch term and neighbor-level term are important for TS; the contribution to TS from thermal expansion is blue shift, which is also important. The R-line TS of MgO:Cr<SUP>3+</SUP> comes from the first-order term of EPI. The elastic Raman scattering of acoustic phonons plays a dominant role in R-line TB of MgO:Cr<SUP>3+</SUP>. For both TS and TB, it is very important to take into account all the admixtures of basic wavefunctions within d<SUP>3</SUP> electronic configuration.

关 键 词：crystal fields optical properties thermal shift and broadening electron-phonon interaction thermal expansion 

分 类 号：O734[理学—晶体学]