Local structure analysis of TiO ( = Sr, Ba, Pb)

Yoneda, Yasuhiro; Kohara, Shinji*

Ferroelectrics, 485(1), p.34 - 41, 2015/00

https://doi.org/10.1080/00150193.2015.1060095

High-energy X-ray total scattering provides simultaneous information about long-range order through the Bragg peaks and short-range order through the diffuse scattering. In ferroelectric materials, short-range order structure inside the ferroelectric domains tends to deviate from the average structure. The local structure analysis is necessary to reveal the ferroelectric mechanism. We applied atomic pair-distribution function (PDF) analysis using synchrotron X-ray for the study of local structure of ferroelectrics having perovskite structure. In BaTiO, since local distortion is averaged out owing to the requirements of periodicity and harmonic lattice vibrations, the average structure showed a cubic structure. The actual structure of systems which displays so much instability and disorder can be revealed by the PDF analysis.