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Abstract
Parameters of short-range Born-Mayer potentials and effective ion charges in the semiconductor-ferroelectric ABO3 perovskite-type crystals (SrTiO3 and BaTiO3) have been calculated on the base of a semiempirical approach using the experimental values of the elastic moduli of the crystals. It has been shown that the Sr2+ and Ba2+ ions have the complete and Ti4+ ions reduced ion charge respectively i.e. the Ti≡O bonds are in considerable degree covalent. The mean ionicity and stiffness factor of the Ti≡O bond (less against SrTiO3) facilitates ferroelectric transition in BaTiO3 crystal. The PbTiO3 crystals have still less ionicity because of a marked covalent contribution to the Pb≡O bond.
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