Local Structure Analysis of BaTiO3 and BiFeO3 in the High-temperature Cubic Phase

BaTiO3 and BiFeO3 are ABO3 perovskite ferroelectric materials and have different phase tran- sitions though have the same average structure in the high-temperature paraelectric phase. The purpose of this work was to clarify the local structures of BaTiO3 and BiFeO3 in the cubic phase and to elucidate the mechanism of the ferroelectric phase transitions. A local structure analysis was carried out using the X-ray pair-distribution function (PDF) obtained from high-energy synchrotron X-ray diffraction. A clear difference in the local structures of the high-temperature cubic phase was found. The difference in the short-range order structure of the cubic phase and the difference in the ferroelectric phase transition can be explained by the local environment around the A-site atoms on the basis of the tolerance factor. KCI Citation Count: 1