Abstract
The interlayer magnetic interaction in bilayer CrI3 plays a crucial role for its device applications. In this work, we studied the interlayer magnetic interaction in π/3-twisted bilayer CrI3 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 A¯A-stacking. The magnetic force theory calculations demonstrate that such an antiferromagnetic interaction is dominated by the eg–eg channel. Particularly, the interlayer antiferromagnetic interaction is very sensitive to external pressure. This highly tunable interlayer interaction makes π/3-twisted bilayer CrI3 a potential building block for magnetic field effect transistors and pressure sensors.
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