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由半金属单层 CrN 铁磁体引起的二维 SnO 的磁近邻效应导致的自旋相关电子结构。

Magnetic proximity effect induced spin-dependent electronic structure in two-dimensional SnO by half-metallic monolayer CrN ferromagnet.

机构信息

Tianjin Key Laboratory of Film Electronic & Communicate Devices, School of Electrical and Electronic Engineering, Tianjin University of Technology, Tianjin 300384, China.

出版信息

Phys Chem Chem Phys. 2019 Mar 27;21(13):6984-6990. doi: 10.1039/c9cp00690g.

Abstract

Monolayer SnO has been attracting much attention owing to its unique electronic structure, which has potential applications in nanoelectronic and optoelectronic devices. However, it is necessary to induce the spin-dependent electronic structure of monolayer SnO for its applications in spintronics. Here, in order to induce the spin polarization of monolayer SnO by magnetic proximity effects, the spin-dependent electronic structure of two-dimensional (2D) van der Waals (vdW) SnO/CrN heterostructures is calculated using first-principles calculations by considering different strains and interlayer distances. When the interlayer distance of the heterostructure increases, the Sn magnetic moment decreases, but the Cr magnetic moment increases. As the interlayer distance decreases, the band gap of SnO decreases in the spin-down channel because of the enhancements in orbital overlap and hybridization. Meanwhile, the electronic structure of monolayer SnO/CrN heterostructures can also be tailored by in-plane biaxial strain. With an increase in tensile strain, the Fermi level of monolayer SnO moves down and p-type doping appears. For compressive strains, the Fermi level of monolayer SnO moves upward and n-type doping appears. When the in-plane biaxial strain turns from compressive to tensile, the magnetic anisotropy of CrN in monolayer SnO/CrN heterostructure increases, where the easy axis is perpendicular to the CrN layer.

摘要

单层 SnO 由于其独特的电子结构而引起了广泛关注,这种结构在纳米电子学和光电子学器件中有潜在的应用。然而,为了将其应用于自旋电子学,有必要诱导单层 SnO 的自旋相关电子结构。在这里,为了通过磁近邻效应诱导单层 SnO 的自旋极化,通过考虑不同的应变和层间距离,使用第一性原理计算来计算二维(2D)范德华(vdW)SnO/CrN 异质结构的自旋相关电子结构。当异质结构的层间距离增加时,Sn 的磁矩减小,但 Cr 的磁矩增加。随着层间距离的减小,由于轨道重叠和杂化的增强,SnO 的带隙在自旋向下通道中减小。同时,通过面内双轴应变也可以对单层 SnO/CrN 异质结构的电子结构进行调整。随着拉伸应变的增加,单层 SnO 的费米能级向下移动,出现 p 型掺杂。对于压缩应变,单层 SnO 的费米能级向上移动,出现 n 型掺杂。当面内双轴应变从压缩变为拉伸时,单层 SnO/CrN 异质结构中 CrN 的磁各向异性增加,其中易轴垂直于 CrN 层。

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