Nanoscale structural analysis of ferroelectrics using pair distribution function

Yoneda, Yasuhiro   

It is important to determine whether a sample is a single phase or not in order to improve the quality of ferroelectrics. Therefore, we have succeeded in developing a detection method for trace amounts of segregated phases by using two-body correlation distribution function (PDF) in addition to X-ray diffraction, which has been conventionally used to detect impurities. In the X-ray diffraction pattern of the BaTiO-BiFeO solid solution, it appears as a single phase with a rhombohedral structure. However, when the PDF was calculated from the obtained diffraction pattern, it was found that not only the component derived from the rhombohedral crystal structure calculated from the average structure but also the BaTiO component was mixed and segregated. By using PDF in this way, it has become possible to detect fine segregation phases on the order of nanoscale.