Critical Role of Sc Substitution in Modulating Ferroelectricity in Multiferroic LuFeO3
Critical Role of Sc Substitution in Modulating Ferroelectricity in Multiferroic LuFeO3
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DOI：
10.1021/acs.nanolett.1c02123
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发表时间：
2021-07-20
期刊：
影响因子：
10.8
通讯作者：
Zhu, Jing
中科院分区：
文献类型：
--
作者：
Deng, Shiqing;Li, Jun;Zhu, Jing
了解单个掺杂剂或替代原子如何与主体晶格相互作用，使我们能够操纵，控制和改善材料的功能。然而，由于多铁性中各个自由度之间的紧密耦合，单个外来原子的原子尺度影响仍然难以捉摸。在这里，我们解开的关键作用，个别Sc替代原子在调制铁电性在原子尺度上的典型的多铁性，Lu 1-xScxFeO 3，结合先进的显微镜和理论研究。原子变化的极性位移有趣的拓扑涡旋域稳定的Sc取代直接相关的Sc原子介导的局部化学和电子的波动。发现Sc显著增强了FeO 5的局部三聚化强度和Lu/Sc-O杂化强度，阐明了反常铁电性对Sc含量的强烈依赖性的起源。这项研究可以为将掺杂剂调节的原子尺度局部结构与全局性质相关联铺平道路，从而设计出许多化学掺杂功能材料的新兴功能。
Understanding how individual dopants or substitutional atoms interact with host lattices enables us to manipulate, control, and improve the functionality of materials. However, because of the intimate coupling among various degrees of freedom in multiferroics, the atomic-scale influence of individual foreign atoms has remained elusive. Here, we unravel the critical roles of individual Sc substitutional atoms in modulating ferroelectricity at the atomic scale of typical multiferroics, Lu1-xScxFeO3, by combining advanced microscopy and theoretical studies. Atomic variations in polar displacement of intriguing topological vortex domains stabilized by Sc substitution are directly correlated with Sc atom-mediated local chemical and electronic fluctuations. The local FeO5 trimerization magnitude and Lu/Sc-O hybridization strength are found to be significantly reinforced by Sc, clarifying the origin of the strong dependence of improper ferroelectricity on Sc content. This study could pave the way for correlating dopant-regulated atomic-scale local structures with global properties to engineer emergent functionalities of numerous chemically doped functional materials.