On the interpretation of g values of the lowest excited 3T1u state of the f center in CaO

In order to interpret experimental data obtained from observations on the lowest excited 3 T 1u state of the F center in CaO in terms of physical entities, a set of assumptions is applied which depends on the type of the data. The agreement between the values of physical entities calculated by using distinct sets of assumptions is poor. In the present work the origin of this discrepancy is investigated. Hereto the measured g values are compared with the corresponding mathematical expressions, which are derived by using four currently applied assumptions, and it turns out that no consistent fit is obtainable. The analysis of the inconsistency revealed that the assumption that the Jahn-Teller coupling can be described by using one single effective frequency, is not applicable. Furthermore, arguments are given that in the calculation the mixing of the 3 T 1u state with other electronic states probably plays a significant role.