Albaridy Rehab, Manchon Aurelien, Schwingenschlögl Udo
Physical Sciences and Engineering Division (PSE), King Abdullah University of Science and Technology (KAUST), Thuwal, 23955-6900, Saudi Arabia.
J Phys Condens Matter. 2020 May 29;32(35). doi: 10.1088/1361-648X/ab8986.
Achieving a two-dimensional material with tunable magnetic anisotropy is highly desirable, especially if it is complemented with out-of-plane electric polarization, as this could provide a versatile platform for spintronic and multifunctional devices. Using first principles calculations, we demonstrate that the magnetic anisotropy of Cr-trihalides become highly sensitive to mechanical strain upon structural inversion symmetry breaking through the realization of Janus monolayers. This remarkable feature, absent in pristine Cr-trihalide monolayers, enables mechanical control of the direction of the easy axis: biaxial compressive/tensile strain supports in-plane/out-of-plane orientation of the easy axis. The magnetic exchange itself shows higher sensitivity to compressive than to tensile strain, while in general the Janus monolayers maintain ferromagnetic ordering in the studied range of strain.
获得具有可调磁各向异性的二维材料是非常可取的，特别是当它与面外电极化相结合时，因为这可以为自旋电子学和多功能器件提供一个通用平台。通过第一性原理计算，我们证明，通过实现Janus单层，Cr-三卤化物的磁各向异性在结构反演对称性破缺时对机械应变变得高度敏感。这种在原始Cr-三卤化物单层中不存在的显著特性，使得能够对易轴方向进行机械控制：双轴压缩/拉伸应变支持易轴的面内/面外取向。磁交换本身对压缩应变的敏感性高于对拉伸应变的敏感性，而一般来说，Janus单层在所研究的应变范围内保持铁磁有序。
