自旋电子学应用中Janus单层MnSSe的电可调磁性和独特的层内电荷转移
Electrically tunable magnetism and unique intralayer charge transfer in Janus monolayer MnSSe for spintronics applications
摘要：
由于与磁场相比，电场可以容易地局部施加，因此通过纯电学手段控制二维（2D）材料的磁性和电子性质对于高效自旋电子器件是至关重要的并且是高度寻求的。最近发现的2D Janus晶体由于其破缺的反转对称性质，为纳米电子学和自旋电子学提供了一个新的平台。本征铁磁Jauns单层，因此，可调的物理性质，因此，极大的兴趣。通过全面的密度泛函理论计算和蒙特卡罗模拟，我们揭示了单层MnSSe是一种本征铁磁半金属，在自旋下降通道中的直接带隙为1.14 eV，居里温度约为72 K。交换耦合可以分别通过空穴和电子掺杂显著增强或淬灭。特别地，少量的空穴掺杂MnSSe可以在面外和面内方向之间调节其易磁化轴，这有助于设计用于自旋相关输运的2D自旋场效应晶体管。我们还发现了一个可逆的纵向层间电荷转移之间的S和Se层的第一次是高度敏感的外加电场。有趣的是，电荷流的方向和外加场的方向是相同的。这种行为起源于外部场和内部场的共存和/或竞争。这些发现，加上良好的稳定性和大的面内刚度，可以大大促进基于2D MnSSe晶体的纳米电子学和自旋电子学器件的发展。
英文摘要：
Controlling magnetism and electronic properties of two-dimensional (2D) materials by purely electrical means is crucial and highly sought for high-efficiency spintronics devices since electric field can be easily applied locally compared with magnetic field. The recently discover 2D Janus crystals has provide a new platform for nanoscale electronics and spintronics due to their broken inversion symmetry nature. The intrinsic ferromagnetic Jauns monolayer, and hence the tunable physical properties, is therefore of great interest. Here, through comprehensive density functional theory calculations and Monte Carlo simulations, we unveil that single-layer MnSSe is an intrinsic ferromagnetic half-metal with a direct band gap of 1.14 eV in spin-down channel and a Curie temperature of about 72 K. The exchange coupling can be significantly enhanced or quenched by hole and electron doping, respectively. In particular, a small amount of hole doping MnSSe can tune its magnetization easy axis in between out-of-plane and in-plane directions, which is conducive to designing 2D spin field-effect transistor for spin-dependent transport. We also find a reversible longitudinal interlayer charge transfer between S and Se layers for the first time that is highly sensitive to the applied external electric field. Interestingly, the directions of charge flow and the applied field are the same. The behavior originates from the coexistence and/or the competition of external and built-in fields. These findings, together with the excellent stability and large in-plane stiffness, can greatly facilitate the development of nanoscale electronics and spintronics devices based on 2D MnSSe crystal.
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