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Tunable sliding ferroelectricity and magnetoelectric coupling in two-dimensional multiferroic MnSe materials
发布时间:2023-11-08

Tunable sliding ferroelectricity and magnetoelectric coupling in two-dimensional multiferroic MnSe materials

Kehan Liu, Xikui Ma, Shuoke Xu, Yangyang Li & Mingwen Zhao     
    npj Computational Materials 9: 16(2023)
   doi.org/10.1038/s41524-023-00972-2   
    Published online: 03 February 2023  
   Abstract| Full Text | PDF OPEN  
    
    
Abstract:Sliding ferroelectricity (SFE) found in two-dimensional (2D) van der Waals (vdW) materials, such as BN and transition-metal dichalcogenides bilayers, opens an avenue for 2D ferroelectric materials. Multiferroic coupling in 2D SFE materials brings us an alternative concept for spintronic memory devices. In this study, using first-principles calculations, we demonstrate that MnSe multilayers constructed by the recently-synthesized MnSe monolayer have large sliding-driven reversible out-of-plane electric polarization (~10.6?pC?m?1) and moderate interlayer sliding barriers superior to the existing 2D SFE materials. Interestingly, the intrinsic electric polarization is accompanied by nonzero net magnetic moments which are also switchable via lateral interlayer sliding. Additionally, both SFE and magnetoelectric coupling can be effectively regulated by external strain and/or hole doping. Our findings suggest the potential of MnSe multilayers in 2D multiferroic and spintronic applications.  
摘要: 在二维范德华材料中发现的滑移铁电性(SFE),为二维铁电材料开辟了一条新的途径,例如双层BN和过渡金属双卤族化合物。二维SFE材料中的多铁耦合为自旋电子学存储器件提供了另一种概念。在本研究中,我们利用第一性原理计算证明,由最近实验合成的单层MnSe所构建的多层薄膜,具有较大的面外电极化(~10.6?pC?m?1),且电极化可由层间滑移驱动以实现可逆调控,MnSe具有适当的滑移势垒,优于现有的二维SFE材料。有趣的是,本征电极化伴随着非零的净磁矩,这些净磁矩也可以通过层间滑移来切换。此外,SFE和磁电耦合都可以通过外部应变和空穴掺杂来实现有效调控。我们的研究结果表明,多层MnSe在二维多铁与自旋电子学器件等方面具备潜力。  
Editorial Summary  

Sliding ferroelectricity and magnetoelectric coupling in multilayer MnSe

Ferroelectric (FE) materials have switchable bistable states with opposite spontaneous electric polarization that can be reversed via external electric field, enabling application in non-volatile memory devices. The traditional FE materials, such as perovskite oxide PbTiO3, BaTiO3, and BiFeO3 where the electric polarization originates from the displacement of octahedral center ions are facing many challenging in miniaturization and integration of nanoelectronics device, mainly due to interface distortion and depolarization field. Two-dimensional (2D) FE materials have the advantages of atomic thickness and clean interface, which is conducive to nanoscale integration. However, the 2D FE materials which have been achieved in experiments under ambient conditions remain rare due to stringent constrains on lattice symmetry and stability. Sliding ferroelectricity (SFE) found in 2D vdW bilayers where the out-of-plane electric polarization can be switched by lateral sliding between the two monolayers opens a new avenue for 2D ferroelectricity. However, the electric polarization of these SFE materials is much weaker than that of the traditional ferroelectric materials. Additionally, the coupling of different ferroic orders (such as magnetoelectric coupling) in multiferroic materials is essential for information processing and memory devices. Considering that antiferromagnetic (AFM) materials have the advantages of faster spin dynamics and low sensitivity to stray magnetic fields, searching for a 2D AFM materials with remarkable electric polarization and magnetoelectric coupling, is of great significance for achieving SFE-controlled electron spin polarization and relevant device applications. In this work, a team led by Prof. Mingwen Zhao from the School of Physics in Shandong University, employed first-principles calculations to demonstrate the enhanced SFE and magnetoelectric coupling in the antiferromagnetic 2D vdW bilayer and multilayers composed of the recently-synthesized MnSe monolayers. The computations showed that the electric polarization of MnSe bilayer is an order of magnitude larger than that of MoS2 and WTe2. Additionally, both SFE and magnetoelectric coupling can be effectively regulated by external strain and/or hole doping. The tunable ferroelectricity and magnetoelectric coupling of the 2D vdW MnSe materials offer a promising platform for study of sliding multiferroics and relevant spintronics device applications. 
多层MnSe中的滑移铁电与磁电耦合            

铁电材料具有可切换的双稳态,对应方向相反的自发电极化,且电极化可以通过外部电场实现反转,这些性质使得其在非易失性存储器件中具有一定的应用价值。在传统的铁电材料中,如钙钛矿氧化物钛酸铅、钛酸钡和铁酸铋等,其电极化起源于八面体中心离子的位移。但是由于界面畸变与退极化场等问题,它们在纳米电子器件的小型化和集成方面面临着诸多挑战。二维铁电材料具有原子级厚度和界面干净等优点,有利于实现纳米级别的集成。但是由于晶格对称性与稳定性等条件限制,在普通环境中可实现的二维铁电材料依旧稀少。近来的理论和实验发现,在双层范德华材料中可以实现滑移铁电(SFE),其面外的电极化可通过双层之间的横向滑移来切换,这为二维铁电体开辟了一条崭新的道路。但是,现有SFE材料的电极化比传统的铁电材料要弱得多。此外,磁性与其他有序铁性的耦合(例如磁电耦合)在信息的处理与存储方面具有较大的应用前景。鉴于反铁磁(AFM)材料具有自旋动力学速度快、对杂散磁场灵敏度低等优点,寻找一种具有显著的电极化以及磁电耦合的二维AFM材料,对于实现SFE控制的电子自旋极化,甚至相关器件的应用具有重要意义。在本工作中,来自山东大学物理学院的赵明文教授团队,通过第一性原理计算证明,单层MnSe堆叠而成的反铁磁双层/多层薄膜具有可观的电极化以及磁电耦合。该研究表明,MnSe的电极化比MoS2和WTe2的要大一个数量级。此外,通过外加应变或者空穴掺杂,可以显著地调控电极化大小以及磁电耦合。二维MnSe材料中的可调控铁电性和磁电耦合为研究滑移多铁材料,以及相关自旋电子学器件的应用提供了一个很有前途的平台。

 
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