  First-principles electronic band structure investigations of five compounds
of the CaO-Al2O3 family, 3CaO.Al2O3, 12CaO.7Al2O3, CaO.Al2O3, CaO.2Al2O3 and
CaO.6Al2O3, as well as CaO and alpha-, theta- and kappa-Al2O3 are performed. We
find that the conduction band in the complex oxides is formed from the oxygen
antibonding p-states and, although the band gap in Al2O3 is almost twice larger
than in CaO, the s-states of both cations. Such a hybrid nature of the
conduction band leads to isotropic electron effective masses which are nearly
the same for all compounds investigated. This insensitivity of the effective
mass to variations in the composition and structure suggests that upon a proper
degenerate doping, both amorphous and crystalline phases of the materials will
possess mobile extra electrons.
