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首页> 外文期刊>Physical review >Ab initio study of the effects of interfacial structure on the ferroelectric, magnetic, and magnetoelectric coupling properties of Fe/BaTiO_3 multiferroic tunnel junctions
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Ab initio study of the effects of interfacial structure on the ferroelectric, magnetic, and magnetoelectric coupling properties of Fe/BaTiO_3 multiferroic tunnel junctions

机译：从头开始研究界面结构对Fe / BaTiO_3多铁性隧道结的铁电，磁和磁电耦合特性的影响

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摘要

Multiferroic tunnel junctions (MFTJs) are usually composed of two ferromagnetic electrodes and an ultrathin layer of ferroelectric barrier, with many physical properties sensitive to the interfacial details. In Fe/BaTiO_3 heterostructures, two types of interfacial atomic configurations were observed successively in previously reported experiments. In this work, we consider two types of Fe/BaTiO_3 MFTJs which differ only in the interfacial structure via ab initio studies. Various physical properties are systematically investigated to reveal the interface effect. Due to the existence of the additional FeO monolayer, an unstable chemical bond forms within the interface, which leads to the vanishing critical thickness for ferroelectricity and enhanced magnetoelectric coupling of the MFTJs with this interface.
机译：多铁隧道连接（MFTJ）通常由两个铁磁电极和一个超薄铁电势垒层组成，具有许多对界面细节敏感的物理特性。在Fe / BaTiO_3异质结构中，在先前报道的实验中相继观察到两种类型的界面原子构型。在这项工作中，我们通过从头算研究，考虑了两种类型的Fe / BaTiO_3 MFTJ，它们的界面结构仅不同。系统地研究了各种物理性质以揭示界面效应。由于存在额外的FeO单层，因此在界面内形成了不稳定的化学键，这导致铁电临界厚度消失，MFTJ与该界面的磁电耦合增强。

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