Defect chemistry of alkaline earth metal (Sr/Ba) titanates

Defect reactions and reaction parameters of SrTiO3 and BaTiO3, published in literatures, over the doping range from acceptor to donor, temperature range from room temperature to >1500 K and oxygen partial pressure range of 10(-25) to 1 bar are summarized in this work, and a Windows (R) based DefectChemCal program is developed. With the program, one can calculate the defect concentrations and the electrical properties of acceptor and donor-doped SrTiO3 and BaTiO3, and the validity of the program is demonstrated by comparing the calculation and experimental results. (C) 2016 Elsevier Ltd. All rights reserved.