X-RAY CE L(III) ABSORPTION IN CEO2 AND BACEO3 - EXPERIMENT AND INTERPRETATION ON THE BASIS OF LMTO BAND-STRUCTURE CALCULATIONS

LMTO band structure calculations for CeO2 and BaCeO3 compounds have been performed which indicate that O 2p electrons are hybridized not only with Ce 4f, but to comparable degree also with Ce 5d electrons. Taking this into account, a way is proposed to generalize a physical model of relaxation response of an atom to a Ce 2p inner-shell vacancy. It will possibly lead to better agreement with experimental data in forthcoming calculations of the Ce L(III) absorption in CeO2.