Magnetic anisotropy often plays a central role in various static and dynamic properties of magnetic materials. In particular, for two-dimensional (2D) van der Waals materials, as inferred from the Mermin-Wagner theorem, it is an essential prerequisite for stabilizing ferromagnetic order. In this work, we carry out first-principles calculations for a CrI3 monolayer and investigate how its magnetic anisotropy is interrelated to adjustable parameters governing the underlying electronic structure. We explore various routes for controlled manipulation of magnetic anisotropy: chemical adsorption, substitutional doping, optical excitation, and charge transfer through a heterostructure. In particular, the vertical stacking of CrI3 and graphene is noteworthy in regard to controlling magnetic anisotropy: the spin anisotropy axis is switchable between the out-of-plane and in-plane directions, which is accompanied by a variation in the anisotropy energy of up to 500%. Our results show the possibility that dynamic control of the anisotropy of the 2D magnet CrI3 may enable the development of an advanced spintronic device with enhanced energy efficiency and high operation speed.

中文翻译：

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二维磁体CrI3的可利用磁各向异性。

磁各向异性通常在磁性材料的各种静态和动态特性中起着核心作用。特别是，对于根据Mermin-Wagner定理推论的二维（2D）van der Waals材料，这是稳定铁磁有序的必要先决条件。在这项工作中，我们对CrI3单层进行了第一性原理计算，并研究了其磁各向异性如何与控制底层电子结构的可调参数相关。我们探索了控制磁各向异性的各种途径：化学吸附，替代掺杂，光激发和通过异质结构的电荷转移。特别是，CrI3和石墨烯的垂直堆叠在控制磁各向异性方面值得注意：自旋各向异性轴可以在平面外方向和平面内方向之间切换，这伴随着各向异性能量的变化高达500％。我们的研究结果表明，动态控制2D磁体CrI3各向异性的可能性可能使先进的自旋电子器件的开发具有更高的能效和较高的运行速度。