Quantitative Defect Chemistry Analysis of (La_(1-x)Ca_x)_yFeO_(3±δ) Perovskite

摘要

The defect chemistry inside the (La_(1-x)Ca_x)_yFeO_(3±δ) perovskite (LCF) was analyzed using the La-Ca-Fe-O quaternary thermodynamic database. The quantitative Brouwer diagram for LCF at 850°C was developed to show the concentration of all the species in A-site, B-site, and O-site of the perovskite with the change of oxygen partial pressures. In addition, the detailed defect chemistry analysis has been adopted on the prediction of the electronic conductivity of LCF with the compound energy formalism model by applying the CALPHAD approach. The calculations on the electronic conductivity of LCF show agreement with the high temperature experimental data in the literatures.