Abstract
The present paper considers the effect of oxygen partial pressure on the presence of point defects in calcium titanate (CaTiO3) at elevated temperatures at which a gas/solid equilibrium is reached. Defect models of undoped (CaTiO3) are considered within several regimes of oxygen partial pressures involving (i) extremely reducing conditions, (ii) reducing conditions, and (iii) oxidizing conditions, which are described by different charge-neutrality conditions. The mechanism of donor incorporation is considered in terms of both ionic and electronic charge compensation. It is shown that electronic and ionic charge compensations prevail at low and high p(O2), respectively.
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