THEORETICAL STUDY ON THE ENERGY SPECTRUM AND PRESSURE SHIFTS OF R1 LINE FOR LiNbO3:Cr3+

Abstract

Based on the improved ligand-field theory, the energy levels of spectrum, wavefunctions and crystal-field parameters of LiNbO 3: Cr 3+ at 10 K and normal pressure, have been calculated by diagonalizing the complete d3+ energy matrix (120 × 120) under the strong-field scheme of the ligand-field theory. Furthermore, the values of R1 line of LiNbO 3: Cr 3+ under different pressure have been calculated, which agrees well with the experimental data. At last, the contributions from various crystal-field parameters to the energy levels at normal pressure and the variaton rates of the R1 line shifting with the pressure have been calculated, and the physical origin of the red shift of R1 line under the increasing pressure has been clearly shown.