Dd. Sarma, ESTIMATE OF MIXED-VALENCY IN TRANSITION-METAL OXIDES FROM CORE-LEVEL PHOTOEMISSION SPECTROSCOPY, Journal of the Physical Society of Japan, 65(5), 1996, pp. 1325-1328
With extensive calculations based on cluster and impurity models, we a
nalyse core level photoemission spectra of several transition metal co
mpounds. Our results show that the average d-occupancy is determined w
ith sufficient accuracy from these spectra, though different interacti
on strengths, like U, Delta, and t individually have a very wide range
of uncertainties. It is also found that an analysis of core level spe
ctra of a stoichiometric compound can provide a good estimate even for
the character of doped holes in such systems.