Nanoscale structural analysis of ferroelectrics using pair distribution function

Abstract

Ferroelectrics have been used in a wide variety of applications such as capacitors, memories, and sensor materials. Many ferroelectric materials are solid solutions with complex compositions, and their structures are averaged. In particular, in order to clarify the polarization mechanism of pseudo-cubic structures such as relaxor ferroelectrics, not only average structural analysis assuming a conventional periodic structure, but also local structural analysis must be performed. The pair distribution function method is a technique of local structural analysis in which the radial distribution function is derived from powder X-ray diffraction, and model fitting is performed in real space without assuming a periodic structure. In this paper, the necessity of local structural analysis in dielectrics is discussed.