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posted on 2024-10-02, 12:01 authored by Yuehua Huangfu, Pengyu Liu, Dong Li, Chang Liu, Haowei Lu, Guangbiao Zhang
Details of Curie temperature simulations, sliding barriers calculations, and Berry curvature calculation; Magnetic configurations of ScBr2 monolayer; MAE of ScBr2 monolayer; Curie temperature simulations; The variation in MAE values under different biaxial strains; The bandstructure of 7.2% strained ScBr2 monolayer; Stacking structures of ScBr2 bilayer; Sliding energy barrier of ScBr2 bilayer; Energy difference between AFM and FM states in different stacking structures; Interlayer bond angle and exchange parameter; Plane average electrostatic potential of AA-0, AA-1, and AA-2 stackings; Layer-resolved band structures of AA-0; Layer-resolved band structures and Plane average electrostatic potential of AB-0, AB-1, and AB-2 stacking modes; Layer-resolved band structures at a tensile strain of 4%~8% in AA-1; Molecular dynamic simulation and phonon dispersion spectrum of a 7% tensile strained ScBr2 monolayer; Top and side views of (a) ScBr2/Ga2S3P↓ and (b) ScBr2/Ga2S3P↑ (I, II, III) heterojunction; Calculated energies of the ScBr2/P↓(P↑) heterostructures; The band structure of ScBr2/P↓(P↑) heterojunction; The difference in average charge density along z direction of the ScBr2/P↓(P↑) heterostructures.

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