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Local structure analysis of Li-substituted NaNbO$$_3$$

Yoneda, Yasuhiro   ; Kohara, Shinji*

NaNbO$$_3$$ has expected as an end member of unleaded piezoelectric material is a ferroelectric material studied widely. It is considered as the antiferroelectric crystal at room temperature, and the phase transition of 3 times is shown by the melting point from room temperature. Although the structure of the antiferroelectric phase in room temperature is orthorhombic $$Pbcm$$, the atom position of this structure is very close to rhombohedral $$R3c$$. By doping Li, it is possible to also make this hidden rhmbohedral $$R3c$$ structure appear. We examined the phase transition and the Li dope effect of NaNbO$$_3$$ from local order analysis using atomic pair-distribution function (PDF). It is thought that the randomness of ${it A}$ site is suppressed by Li like AgNbO$$_3$$, and the $$R3c$$ structure which is a ferroelectric phase stabilizes NaNbO$$_3$$ from the result of local order analysis.

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