Proper Ferroelectricity in the Dion鈥揓acobson Material CsBi2Ti2NbO10: Experiment and Theory

详细信息    查看全文

• 作者：Emma E. McCabe ; Eric Bousquet ; Christopher P. J. Stockdale ; Charles A. Deacon ; T. Thao Tran ; P. Shiv Halasyamani ; Martin C. Stennett ; Neil C. Hyatt
• 刊名：Chemistry of Materials
• 出版年：2015
• 出版时间：December 22, 2015
• 年：2015
• 卷：27
• 期：24
• 页码：8298-8309
• 全文大小：724K
• ISSN：1520-5002

文摘

A diverse range of materials and properties are exhibited by layered perovskites. We report on the synthesis, characterization, and computational investigation of a new ferroelectric鈥擟sBi₂Ti₂NbO₁₀鈥攁n n = 3 member of the Dion鈥揓acobson (DJ) family. Structural studies using variable-temperature neutron powder diffraction indicate that a combination of octahedral rotations and polar displacements result in the polar structure. Density functional theory calculations reveal that the wider perovskite blocks in CsBi₂Ti₂NbO₀ stabilize proper ferroelectricity, in contrast to the hybrid-improper ferroelectricity reported for all other DJ phases. Our results raise the possibility of a new class of proper ferroelectric materials analogous to the well-known Aurivillius phases.