P.C. Pattnaik, D.M. Newns
Physical Review B
Madelung potentials, assuming the normal oxidation states of the ions involved, have been calculated within the point-charge approximation for most of the common metal oxides, and an empirical expression has been found for obtaining these potentials to a high degree of accuracy. Using these potentials and core binding-energy shifts of the free ions [1], calculated and experimental ESCA spectra have been compared. Deficiencies of the simple Madelung-potential model are discussed, and trends in the ionicity of the oxides are obtained. © 1980.
P.C. Pattnaik, D.M. Newns
Physical Review B
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