Energy Spectrum, g Factors, Strain-Induced Level-Splittings and R-Line Thermal Shift of MgO:V^(2+)

Traditional ligand-field theory has to be improved by taking into account both pure electronic contribution and electron-phonon interaction one (including lattice-vibrational relaxation energy).By means of improved ligand-field theory,the R line,t_2^(32)T_1 and t_2^(32)T_2 lines,t_2~2(~3T_1)e^4T_2,t_2~2(~3T_1)e^4T_1 and t_2e^2(~4A_2)~4T_1 bands,g factors of t_2~3 ~4A_2 and t_2^(32)E,four strain-induced level-splittings and R-line thermal shift of MgO:V^(2+) have been calculated.The results are in very good agreement with the experimental data.It is found that for MgO:V^(2+),the contributions due to electron- phonon interaction (EPI) come from the first-order term;the contributions from the second-order and higher terms are insignificant.In thermal shift of R line of MgO:V^(2+),the temperature-dependent contribution due to EPI is dominant. The results obtained in this work may be used in theoretical calculations of other effects of EPI.

Improved Ligand-Field Calculation of Energy Spectrum and R-Line Thermal Shift of MgO：Cr^3＋

传统的 ligand 地理论不得不被考虑纯电子贡献和电子声子相互作用一改善(包括的 lattice-vibrationalrelaxation 精力) 。借助于改进 ligand 地理论， R 线， t_2~3 ~ 2T_1 线， t_2~2 (~ 3T_1 ) e~4T_2，和 t_2~2 (~ 3T_1 ) e~4T_1 乐队，地面状态 g 因素，四 strain-inducedlevel-splittings，和 MgO 的 R 线热移动:Cr~(3+) 被计算了。结果在对试验性的数据的很好的同意。它为 MgO 被发现那:Cr~(3+) ，贡献由于电子声子相互作用(EPI ) 来自一阶的条款。在 R-lineof MgO 的热移动:Cr~(3+) ，温度依赖者贡献由于 EPI 是主导的。