Improved Ligand-Field Theoretical Calculation of R-Line Pressure-Induced Shift of MgO:V2+

By means of an improved ligand-field theory, the “pure electronic” PS andthe PS due to EPI of R line of MgO:V²⁺ have been calculated,respectively. The calculated results are in very good agreement with theexperimental data. The behaviors of the pure electronic PS of R line ofMgO:V²⁺ and the PS of its R line due to EPI are different. It is thecombined effect of them that gives rise to the total PS of R line, which hassatisfactorily explained the experimental results. The mixing-degree of|t₂²(³T₁)e⁴T₂〉and |t₂^{3 2}E〉 in the wavefunction of R level and its variation withpressure have been calculated and analyzed. The comparison between thefeature of R-line PS of MgO:V²⁺ and that of MgO:Cr³⁺ has been made.