Ferroelectrics with a controlled oxygen-vacancy distribution by design
Ferroelectrics with a controlled oxygen-vacancy distribution by design
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DOI：
10.1038/s41598-019-40717-0
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发表时间：
2019-03-12
影响因子：
4.6
通讯作者：
Miyayama, Masaru
中科院分区：
文献类型：
--
作者：
Noguchi, Yuji;Matsuo, Hiroki;Miyayama, Masaru
控制和操纵材料中的缺陷提供了额外的自由度，不仅用于增强物理性能，还用于引入额外的功能。在铁电氧化物中，点缺陷在特定边界处的积累通常会劣化极化切换能力，但一方面，会产生界面驱动现象。目前，随意控制氧空位以实现期望的缺陷结构仍然具有挑战性。在这里，我们报告了一个实用的路线设计氧空位分布，利用过渡金属掺杂剂的相互作用。我们的薄膜实验结合从头计算BiFeO3的理论计算表明，等价的掺杂剂，如Mn3+与部分或全部电子占据的e（g）状态可以捕获氧空位，导致一个强大的极化开关。我们的方法来控制氧空位分布，通过利用空位捕获能力的等价过渡金属阳离子将实现在铁电钙钛矿氧化物的可切换的极化的全部潜力。
Controlling and manipulating defects in materials provides an extra degree of freedom not only for enhancing physical properties but also for introducing additional functionalities. In ferroelectric oxides, an accumulation of point defects at specific boundaries often deteriorates a polarization-switching capability, but on the one hand, delivers interface-driven phenomena. At present, it remains challenging to control oxygen vacancies at will to achieve a desirable defect structure. Here, we report a practical route to designing oxygen-vacancy distributions by exploiting the interaction with transition-metal dopants. Our thin-film experiments combined with ab-initio theoretical calculations for BiFeO3 demonstrate that isovalent dopants such as Mn3+ with a partly or fully electron-occupied e(g) state can trap oxygen vacancies, leading to a robust polarization switching. Our approach to controlling oxygen vacancy distributions by harnessing the vacancy-trapping capability of isovalent transition-metal cations will realize the full potential of switchable polarization in ferroelectric perovskite oxides.