Giant enhancement of perpendicular magnetic anisotropy and induced quantum anomalous Hall effect in the graphene/NiI2 heterostructure via tuning the van der Waals interlayer distance

Abstract

Using first-principles calculations, we demonstrated that the perpendicular magnetic anisotropy (PMA) of NiI2 monolayer can be effectively enhanced by decreasing interlayer distance of graphene/NiI2 (Gr/NiI2) heterostructure. Furthermore, by analyzing atomic-resolved magnetocrystalline anisotropy energy (MAE), orbital-hybridization-resolved MAE and density of states, we clarify that the magnetic anisotropy enhancement originates from the electronic states of interfacial I atoms. At the same time, the NiI2 substrate induces magnetic proximity effects on graphene, which can lead to the quantum anomalous hall effect (QAHE). Our findings demonstrate the enhancement of PMA via tuning interlayer distance of vdW heterostructure and provides a possible vdW system for realizing QAHE.