17O ENDOR of CeO2:Yb3+: Evidence for covalency

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Abstract
Transferred hyperfine interaction (THFI) parameters As and (Ap+Ad) have been measured by ENDOR for 17O2- ligands of Yb3+ in CeO2 in which about 10% of the oxygen has been replaced by 17O. A molecular orbital model is used to interpret the experimental parameters, and comparison is made with the analogous system CaF2:Yb3+. It appears that the simple molecular orbital model gives an internally consistent explanation of the THFI, orbital reduction factors and crystal field splittings in both materials, in terms of empirically deduced covalency parameters. These parameters for the two materials are related to one another in the way that theory predicts. But the magnitudes of the covalency parameters required for this interpretation are more than three times larger than those calculated ab initio.

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