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論文

Ca-induced phonon softening in BaTiO$$_{3}$$ revealed by inelastic X-ray and neutron scattering

木村 耕治*; 筒井 智嗣*; 山本 裕太*; 中埜 彰俊*; 川村 啓介*; 梶本 亮一; 蒲沢 和也*; Martin, A.*; Webber, K. G.*; 柿本 健一*; et al.

Physical Review B, 110(13), p.134314_1 - 134314_10, 2024/10

 被引用回数:0 パーセンタイル:0.00(Materials Science, Multidisciplinary)

We performed inelastic X-ray and neutron scattering (IXS and INS) experiments for (Ba,Ca)TiO$$_{3}$$ single crystals to elucidate the effect of Ca doing on the atomic dynamics. Dispersion relations of transverse phonons in BaTiO$$_{3}$$, (Ba$$_{0.9}$$Ca$$_{0.1}$$)TiO$$_{3}$$, and (Ba$$_{0.8}$$Ca$$_{0.2}$$)TiO$$_{3}$$ were determined. The $textit{A}$-site-O vibrational mode as well as the acoustic mode were observed both by IXS and INS, whereas the Ti-O soft mode was detected only by INS. It was found that the $textit{A}$-site-O vibration exhibits significant softening with increasing Ca concentration, while the Ti-O soft mode is almost unaffected by the Ca doping. This finding is discussed in comparison with the polarization hysteresis loops and piezoelectric coefficients of (Ba,Ca)TiO$$_{3}$$. It is indicated that the softening of the $textit{A}$-site-O vibration contributes to the enhancement of the piezoelectricity of Ca-doped BaTiO$$_{3}$$-based materials.

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