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arXiv 2102.04173cond-mat.mtrl-scicond-mat.str-el
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双层VI3的磁性:三角晶场和电场调谐的作用

Magnetic properties of bilayer VI3: Role of trigonal crystal field and electric-field tuning

Thi Phuong Thao Nguyen, Kunihiko Yamauchi, Tamio Oguchi, Danila Amoroso, Silvia Picozzi

摘要:

二维VI 3双层的磁性是我们的第一原理分析的重点,突出了三角晶场效应的作用,并进行了比较与CrI 3原型的情况下,其中的影响是缺席。在VI 3双层膜中,空的a1 g状态-与所观察到的三角畸变一致-被发现在稳定绝缘状态和确定层间磁相互作用中起着至关重要的作用。事实上,基于最大局部化的Wannier函数的分析允许评估在两个不同的VI 3堆叠(标记为AB和AB ')中的层间交换相互作用,以解释在虚拟跳跃机制方面的结果,并且突出显示在磁性层间耦合下的最强跳跃通道。在施加垂直于板的电场后,我们发现AB'堆叠中的磁性基态可以从反铁磁切换到铁磁,这表明VI 3双层是电场驱动的小型自旋电子器件的有吸引力的候选者。

英文摘要:

The magnetic properties of two-dimensional VI3 bilayer are the focus of our first-principles analysis, highlighting the role of trigonal crystal-field effects and carried out in comparison with the CrI3 prototypical case, where the effects are absent. In VI3 bilayers, the empty a1g state - consistent with the observed trigonal distortion - is found to play a crucial role in both stabilizing the insulating state and in determining the inter-layer magnetic interaction. Indeed, an analysis based on maximally localized Wannier functions allows to evaluate the interlayer exchange interactions in two different VI3 stackings (labelled AB and AB'), to interpret the results in terms of virtual-hopping mechanism, and to highlight the strongest hopping channels underlying the magnetic interlayer coupling. Upon application of electric fields perpendicular to the slab, we find that the magnetic ground-state in the AB' stacking can be switched from antiferromagnetic to ferromagnetic, suggesting VI3 bilayer as an appealing candidate for electric-field-driven miniaturized spintronic devices.

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