On the interpretation of 3dNions photoemission spectra. I. A comparative study for the valence band of FeO, CoO, and NiO

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Abstract
This paper combines some aspects of the theory of level splitting and of the theory of photoemission intensity and thus provides a unified framework for a quantitative interpretation of the valence band photoemission spectra of 3dN ions in complexes and/or solids. The approach to the position of the photoemission peaks lies on a simplified LCAO–MO model, namely, the Koide–Pryce model involving ε2 terms. Two mechanisms are proposed for the intensity of the photopeaks : Both of them take configuration interaction into account but they differ in that one of them includes additional interference processes between the ejection of t2 and e photoelectrons and the other one does not. The formalism is applied to FeO, CoO, and NiO.

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