摘要
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, R1, R2, R'3, R'2, and R'1 lines, U band, ground-state zero-field-splitting (GSZFS), and ground-state g factors of ruby and/or GSGG: Cr3+ as well as thermal shifts of GSZFS, R1 line and R2 line of ruby have been calculated.The results are in very good agreement with the experimental data. Moreover, it is found that the value of cubic-field parameter given by traditional ligand-field theory is inappropriately large. For thermal shifts of GSZFS, R1 line and R2 line of ruby, several conclusions have also been obtained.
Traditional ligand-field theory has to be improved by taking into accountboth 'pure electronic' contribution and electron-phonon interaction one (includinglattice-vibrational relaxation energy). By means of improved ligand-field theory, R_1, R_2, R_3′,R_2′, and R_1′ lines, U band, ground-state zero-field-splitting (GSZFS), and ground-state gfactors of ruby and/or GSGG: Cr~(3+) as well as thermal shifts of GSZFS, R_1 line and R_2 line ofruby have been calculated. The results are in very good agreement with the experimental data.Moreover, it is found that the value of cubic-field parameter given by traditional ligand-fieldtheory is inappropriately large. For thermal shifts of GSZFS, R_1 line and R_2 line of ruby, severalconclusions have also been obtained.
