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Local structure analysis of Nb-related perovskite materials

Yoneda, Yasuhiro  ; Kohara, Shinji*; Nagata, Hajime*; Fu, D.*; Takenaka, Tadashi*

NaNbO$$_3$$, KNbO$$_3$$, and AgNbO$$_3$$ have rhombohedral structure at low temperatures. The phase transition depends on ${it A}$-site ion with NbO$$_6$$ octahedron. NaNbO$$_3$$ and KNbO$$_3$$ have structural phase transition from rhombohedral to orthorhombic with increasing temperature. On the other hand, the phase transition of AgNbO$$_3$$ occurs from rhombohedral to monoclinic. Since the rhombohedral structure is a highly ordered average structure, it tends to be subject to the influence of local randomness. We performed local structure analysis by using atomic pair-distribution function (PDF). The Nb-O bond clearly appeared in the observed distribution for NaNbO$$_3$$, but degraded in that for AgNbO$$_3$$. The difference of local structures causes different successive phase transitions for the Nb-related perovskite materials.



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