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Local structure analysis of $$A$$TiO$$_{3}$$ ($$A$$ = Sr, Ba, Pb)

Yoneda, Yasuhiro   ; Kohara, Shinji*

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$$_3$$, 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.

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Category:Materials Science, Multidisciplinary

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