The energy levels of spectrum, wavefunetions and crystal-field parameters of MgAl2O4：Cr^3＋ at normal pressure have been calculated by the means of diagonalizing the complete d^3 energy matrix （DCEM）. With these re...The energy levels of spectrum, wavefunetions and crystal-field parameters of MgAl2O4：Cr^3＋ at normal pressure have been calculated by the means of diagonalizing the complete d^3 energy matrix （DCEM）. With these results, the g factor of the ground state at normal pressure and the pressure-induced shift （PS） of the spectra1 levels are also calculated uniformly, and the calculated results are all in good agreement with the experimental ones. And the contributions of various crystal-field parameters to the energy levels at normal pressure and the variational rates of the R1 line shifting with the pressure are calculated, from which the physical origin of the red shift of the R1 line shifting with increasing pressure have been clearly shown.展开更多
文摘The energy levels of spectrum, wavefunetions and crystal-field parameters of MgAl2O4：Cr^3＋ at normal pressure have been calculated by the means of diagonalizing the complete d^3 energy matrix （DCEM）. With these results, the g factor of the ground state at normal pressure and the pressure-induced shift （PS） of the spectra1 levels are also calculated uniformly, and the calculated results are all in good agreement with the experimental ones. And the contributions of various crystal-field parameters to the energy levels at normal pressure and the variational rates of the R1 line shifting with the pressure are calculated, from which the physical origin of the red shift of the R1 line shifting with increasing pressure have been clearly shown.
