MA DongPing, MA Ning, LIN Qiang, CHEN JuRong
理论物理通讯. 2000, 34(4): 605-616.
The calculations of the whole energy spectrum and the g factors of the ground state and t23 2E excited state for MgO:V2+ at normal pressure as well as their pressure-induced shifts have been carried out on the basis of the theory of pressure-induced shifts and the diagonalization of the complete d3 energy matrix in a regular octahedral field. The calculated results are in very good agreement with experimental data. It is found that in the range of 1 bar ~ 100 kbar, the g value of the ground state increases monotonously with pressure, but the g value of t23 2E excited state for MgO:V2+ decreases at first, and then increases. For the first time, the physical essentials of the pressure-induced shifts of g values for the ground state and t23 2E excited state have been thoroughly analyzed and revealed by taking into account the wavefunctions, energy spectra and orbital-angular-momentum reduction factors at various pressures.