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Room-temperature ferroelectricity in A-site ordered Ruddlesden-Popper Li_(2)CaTa_(2)O_(7) ceramics

查看全文 作　　者：[1]B.H.Zhang;[1]Z.Z.Hu;[1]B.H.Chen;[1]X.Q.Liu;[1]X.M.Chen 高影响力作者 机构地区：[1]Laboratory of Dielectric Materials,School of Materials Science and Engineering,Zhejiang University,No.38 Zheda Road,Hangzhou,310027,China高影响力机构 出　　处：《Journal of Materiomics》索引2020年第6卷第3期,共7页高影响力期刊 基　　金：financially supported by the National Natural Science Foundation of China under Grant Nos.51772266,51790493 and 51961145105;the Natural Science Foundation of Zhejiang Province under Grand No.LY20E020012;the National Key R&D Program of China under Grant No.2016YFA0300101;the Scientific Research Fund of Zhejiang Provincial Education Department under Grant No.Y201941595. 摘　　要：In the present work,the crystal structure,ferroelectric and dielectric properties of the dense single-phase Li_(2)CaTa_(2)O_(7) ceramics with A-site ordered double-layer Ruddlesden-Popper structures have been investigated by the experiments and first-principles calculations.A polar Pna21 phase was determined by the Rietveld refinement against the X-ray diffraction pattern at room temperature,and it was confirmed by its lowest calculated energy and rigid phonon modes.The ferroelectricity was found by observing the ferroelectric hysteresis loop at room temperature,and its remanent polarization was similar to the value calculated from the Berry phase and Born effective charge approaches.The ferroelectricity is a nonconventional proper one since its polarization is induced from the displacement of oxygen anions instead of tantalum cations based on the individual atomic polarization.A first-order transition from an antiferroelectric to paraelectric phase around 900 K was found by the DSC and variable-temperature dielectric measurements.From the present work,the room-temperature ferroelectricity is experimental confirmed in the present ceramics,inspiring the search for new ferroelectricity in the ceramics with A-site ordered Ruddlesden-Popper structures. 关 键 词：FERROELECTRICITY A-site ordered ruddlesden-popper Dielectric response First-principles calculation
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