Abstract
Abstract Based on first-principles calculations, we systematically studied the stacking energy and interlayer magnetic interaction of the heterobilayer composed of CrI$_3$ and CrSe$_2$ monolayers. We found that the stacking order plays a crucial role in the interlayer magnetic coupling. Among all possible stacking structures, the AA-stacking is the most stable heterostructure, exhibiting interlayer antiferromagnetic interactions. Interestingly, the interlayer magnetic interaction can be effectively tuned by biaxial strain. A 4.3% compressive strain would result in a ferromagnetic interlayer interaction in all stacking orders. These results reveal the magnetic properties of CrI$_3$/CrSe$_2$ heterostructure, which is expected to be applied to spintronic devices.
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