Ge. Yalovega et Av. Soldatov, Electronic structure of LaMnO3 and CaMnO3: Analysis by the method of multiple scattering, OPT SPECTRO, 85(6), 1998, pp. 898-902
The electronic structure of LaMnO3 and CaMnO3 is analyzed in detail by the
method of total multiple scattering and good agreement is obtained with exp
erimental spectra. The fine structure of free electronic states in the cond
uction band of these compounds is determined. It is shown that unoccupied p
states of oxygen in LaMnO3 and CaMnO3 are substantially hybridized with th
e 3d states of Mn in the conduction band.