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Diffuse neutron scattering calculation of spinel structure of LiMn$$_{2}$$O$$_{4}$$

スピネル構造を持つLiMn$$_{2}$$O$$_{4}$$の中性子散漫散乱解析

Basar, K.*; Xianglian*; 佐久間 隆*; 高橋 東之*; 阿部 修実*; 井川 直樹   

Basar, K.*; Xianglian*; Sakuma, Takashi*; Takahashi, Haruyuki*; Abe, Osami*; Igawa, Naoki

室温におけるLiMn$$_{2}$$O$$_{4}$$の中性子散漫散乱実験を行い、Li-Li, Li-Mn, Mn-Mn, Mn-O及びO-O原子の熱変位に起因する散漫散乱の相関効果を解析した。その結果、LiMn$$_{2}$$O$$_{4}$$の散漫散乱の振動プロファイルはおもにO-O原子の熱変位によるものであることを明らかにした。

Neutron scattering experiment has been performed on powder LiMn$$_{2}$$O$$_{4}$$ with spinel structure at room temperature. The profile of diffuse scattering was analyzed including the correlation effects among thermal displacement of atoms Li-Li, Li-Mn, Li-O, Mn-Mn, Mn-O and O-O. It was found that the main contribution to the oscillatory profile of diffuse scattering intensity of LiMn$$_{2}$$O$$_{4}$$ was O-O pairs.

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