Intermediate-Strength Jahn-Teller Effect in an Orbital Triplet

Abstract

The numerical solution of the Jahn-Teller problem for an electronic p-like state in cubic symmetry simultaneously coupled to e and t₂ vibrational modes is presented in the case of intermediate coupling under the assumption of equal frequencies for both modes. The energy levels and Ham’s reduction factors are computed as a function of the ratio of strength of both Jahn-Teller couplings. The admixture coefficients between the ground state and the first excited states are calculated for the consideration of the effect of strains.