The Use of the Principal Component Analysis for the Prediction of Superlattices Hard Perovskites and Inverse Perovskites

Abstract We present in this work an approach to predict which compounds among perovskites and inverse perovskites with the potential for achieving high hardness and fracture toughness for applications as a thermal barrier coating (TBC). We employ a throughout multivariate technique based on the principal component analysis (PCA). Among the 129 tested perovskites and inverse perovskites, only ~ 10 compounds may exhibit an interesting potential as thermal barrier coating. These results may serve as a map for the design of perovskite-related new multilayer ultra-hard coating materials.