Formability of ABO3 cubic perovskites Original Research Article

In this study, 223 binary oxide systems (of which, 34 systems can form cubic perovskites) are collected to explore the regularity of cubic perovskites formability. It is found that the octahedral factor (rB/rO) take the same important role as the tolerance factor (t) to form cubic perovskites in complex oxide system. Regularities governing cubic perovskites formability are obtained by using empirical structure map constructed by these two parameters, on this structure map, sample points representing systems of forming (cubic structure) and non-forming are distributed in distinctively different regions. Prediction criteria for the formability of cubic perovskites are squeezed out, which may be applied to design new substrate or buffer materials with cubic perovskite structure in compound semiconductor epitaxy.