Physics Department, McGill University, 3600 University Street, Montreal, Quebec, H3A 2T8 Canada;Physics Department, Indiana University, Bloomington, IN 47401, U.S.A.
Abstract:
The energies of the 4T1g states of Co2+ as a dilute substitutional impurity in MgO relative to the ground Λ6g doublet have been found by low temperature Raman spectroscopy to be two Λ8g states at 305 ± 3 cm?1 and 930 ± 3 cm?1; the remaining Λ7g energy is predicted to be in the 980–1010 cm?1 range the corresponding Λ6g → Λ7g Raman transition being weak and buried in the extensive two-phonon background. A second-order perturbation calculation which couples the spin-orbit states to both Eg and T2g modes of vibration gives a weak but important Jahn-Teller stabilization energy for the Λ8g states.