Correlation between radiation resistance and structural factors of ABO3-type perovskites

In this study, ABO3-type (A = Ca, Sr, Ba; B = Ti, Zr) perovskites were prepared by solid-state reaction method and then irradiated by 3 MeV Xe ion. Results show that the samples exhibit significant amorphization and lattice swelling under irradiation. The radiation resistance of ABO3 perovskites is strongly correlated to the structural factors which were proposed to describe the structural stability of perovskites. Specifically, radiation resistance of ABO3 perovskites deteriorates with increasing t and μ+tη and decreasing τ, where t is Goldschmidt’s tolerance factor, μ is the octahedral factor, η is the atomic packing fraction, and τ is a new tolerance factor. Furthermore, the decomposition energies of ABO3 perovskites were calculated to confirm the mentioned correlation. According to this study, it is suggested that structural factors may provide guidance for predicting the radiation resistance of perovskites and seeking for potential perovskites.