Interlayer magnetic interactions in $\pi /3$-twisted bilayer CrI${}_3$

Abstract

The interlayer magnetic interaction in bilayer CrI${}_3$ plays a crucial role for its device applications. In this work, we studied the interlayer magnetic interaction in $\pi /3$-twisted bilayer CrI${}_3$ using first-principles calculations. Our calculations show that the interlayer coupling can be ferromagnetic or antiferromagnetic depending crucially on lateral shift. The strongest antiferromagnetic interlayer interaction appears in the $\bar{A}A$-stacking. The magnetic force theory calculations demonstrate that such an antiferromagnetic interaction is dominanted by the $e_g$-$e_g$ channel. Particularly, the interlayer antiferromagnetic interaction is very sensitive to external pressure. This highly tunable interlayer interaction makes $\pi /3$-twisted bilayer CrI${}_3$ a potential building block for magnetic field effect transistors and pressure sensors.

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• Activating magnetoelectric optical properties by twisting antiferromagnetic bilayers
• Superexchange and spin-orbit coupling in monolayer and bilayer chromium trihalides
• Interlayer magnetic interactions and ferroelectricity in $\pi$/3-twisted CrX${}_2$ (X = Se, Te) bilayers
• Interlayer superexchange in bilayer chromium trihalides