Correlated Thermal Motion in Ferroelectric LiNbO_3 Studied Using Neutron Total Scattering and a Rietveld Analysis

다국어 초록 (Multilingual Abstract)

We report neutron total scattering and a Rietveld analysis on LiNbO_3 at temperatures from 300 K to 550 K. Using the atomic pair distribution function obtained from the total scattering analysis, we extracted the mean-square relative displacement (MSRD) of the Nb-O atom pair as a function of temperature. At the same time, the thermal parameters for Nb, Li, and O ions were refined using a Rietveld analysis. By combining the results for the MSRD and for the atomic thermal vibrations, we report motional correlation of the nearest-neighbor Nb-O pair, which may play a role in stabilizing the ferroelectric state of LiNbO_3.

참고문헌 (Reference)

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