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应变和电场控制双层 CrCl 中的磁态和自旋相互作用:从头算研究。

Control of magnetic states and spin interactions in bilayer CrCl with strain and electric fields: an ab initio study.

机构信息

Department of Mesoscopic Physics, ISQI, Faculty of Physics, Adam Mickiewicz University, ul. Uniwersytetu Poznanskiego 2, 61-614, Poznan, Poland.

School of Physics, Institute for Research in Fundamental Sciences (IPM), Tehran, 19395-5531, Iran.

出版信息

Sci Rep. 2023 Apr 1;13(1):5336. doi: 10.1038/s41598-023-32598-1.

Abstract

Using ab initio density functional theory, we demonstrated the possibility of controlling the magnetic ground-state properties of bilayer CrCl[Formula: see text] by means of mechanical strains and electric fields. In principle, we investigated the influence of these two fields on parameters describing the spin Hamiltonian of the system. The obtained results show that biaxial strains change the magnetic ground state between ferromagnetic and antiferromagnetic phases. The mechanical strain also affects the direction and amplitude of the magnetic anisotropy energy (MAE). Importantly, the direction and amplitude of the Dzyaloshinskii-Moriya vectors are also highly tunable under external strain and electric fields. The competition between nearest-neighbor exchange interactions, MAE, and Dzyaloshinskii-Moriya interactions can lead to the stabilization of various exotic spin textures and novel magnetic excitations. The high tunability of magnetic properties by external fields makes bilayer CrCl[Formula: see text] a promising candidate for application in the emerging field of two-dimensional quantum spintronics and magnonics.

摘要

使用从头算密度泛函理论,我们证明了通过机械应变和电场来控制双层 CrCl[Formula: see text]的磁基态性质是可能的。原则上,我们研究了这两个场对描述系统自旋哈密顿量的参数的影响。得到的结果表明,双轴应变可以在铁磁相和反铁磁相之间改变磁基态。机械应变还会影响磁各向异性能(MAE)的方向和幅度。重要的是,在外应变和电场下,Dzyaloshinskii-Moriya 矢量的方向和幅度也具有高度可调性。最近邻交换相互作用、MAE 和 Dzyaloshinskii-Moriya 相互作用之间的竞争可以导致各种奇异自旋织构和新型磁激发的稳定化。外部场对磁性的高可调性使得双层 CrCl[Formula: see text]成为二维量子自旋电子学和磁振子学这一新兴领域的有前途的候选材料。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/4703/10067849/a438330f90bb/41598_2023_32598_Fig1_HTML.jpg

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