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Chemical-Pressure-Modulated BaTiO3 Thin Films with Large Spontaneous Polarization and High Curie Temperature
Journal of the American Chemical Society ( IF 14.4 ) Pub Date : 2021-04-26 , DOI: 10.1021/jacs.1c00605 Yilin Wang 1, 2 , Linxing Zhang 1 , Jiaou Wang 3 , Qiang Li 1 , Huanhua Wang 3 , Lin Gu 4 , Jun Chen 1 , Jinxia Deng 1 , Kun Lin 1 , Ling Huang 2 , Xianran Xing 1
Journal of the American Chemical Society ( IF 14.4 ) Pub Date : 2021-04-26 , DOI: 10.1021/jacs.1c00605 Yilin Wang 1, 2 , Linxing Zhang 1 , Jiaou Wang 3 , Qiang Li 1 , Huanhua Wang 3 , Lin Gu 4 , Jun Chen 1 , Jinxia Deng 1 , Kun Lin 1 , Ling Huang 2 , Xianran Xing 1
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Although BaTiO3 is one of the most famous lead-free piezomaterials, it suffers from small spontaneous and low Curie temperature. Chemical pressure, as a mild way to modulate the structures and properties of materials by element doping, has been utilized to enhance the ferroelectricity of BaTiO3 but is not efficient enough. Here, we report a promoted chemical pressure route to prepare high-performance BaTiO3 films, achieving the highest remanent polarization, Pr (100 μC/cm2), to date and high Curie temperature, Tc (above 1000 °C). The negative chemical pressure (∼−5.7 GPa) was imposed by the coherent lattice strain from large cubic BaO to small tetragonal BaTiO3, generating high tetragonality (c/a = 1.12) and facilitating large displacements of Ti. Such negative pressure is especially significant to the bonding states, i.e., hybridization of Ba 5p–O 2p, whereas ionic bonding in bulk and strong bonding of Ti eg and O 2p, which contribute to the tremendously enhanced polarization. The promoted chemical pressure method shows general potential in improving ferroelectric and other functional materials.
中文翻译：
自发极化和居里温度高的化学压力调制BaTiO 3薄膜
尽管BaTiO 3是最著名的无铅压电材料之一，但其自发性小且居里温度低。作为通过元素掺杂来调节材料的结构和性能的温和方法，化学压力已被用于增强BaTiO 3的铁电性，但是效率不够。在这里，我们报告了一种改进的化学压力路线，以制备高性能BaTiO 3薄膜，迄今为止，它实现了最高的剩余极化P r（100μC/ cm 2）和居里温度T c（高于1000°C）。从大立方BaO到小四方BaTiO 3的相干晶格应变施加负化学压力（〜-5.7 GPa），产生高四方性（c / a = 1.12）并促进Ti的大位移。这种负压对于键合状态特别重要，即Ba 5p–O 2p的杂化，而整体的离子键合以及Ti e g和O 2p的强键合，则极大地增强了极化作用。促进化学压力的方法在改善铁电材料和其他功能材料方面显示出普遍潜力。
更新日期：2021-05-05
中文翻译：
自发极化和居里温度高的化学压力调制BaTiO 3薄膜
尽管BaTiO 3是最著名的无铅压电材料之一，但其自发性小且居里温度低。作为通过元素掺杂来调节材料的结构和性能的温和方法，化学压力已被用于增强BaTiO 3的铁电性，但是效率不够。在这里，我们报告了一种改进的化学压力路线，以制备高性能BaTiO 3薄膜，迄今为止，它实现了最高的剩余极化P r（100μC/ cm 2）和居里温度T c（高于1000°C）。从大立方BaO到小四方BaTiO 3的相干晶格应变施加负化学压力（〜-5.7 GPa），产生高四方性（c / a = 1.12）并促进Ti的大位移。这种负压对于键合状态特别重要，即Ba 5p–O 2p的杂化，而整体的离子键合以及Ti e g和O 2p的强键合，则极大地增强了极化作用。促进化学压力的方法在改善铁电材料和其他功能材料方面显示出普遍潜力。
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