Fig. 3: Computational data for a representative material system: MnNF, MnNCl, and their VdW heterojunctions. | npj Computational Materials

Fig. 3: Computational data for a representative material system: MnNF, MnNCl, and their VdW heterojunctions.

From: Quantum anomalous Hall effect in two-dimensional magnetic insulator heterojunctions

Fig. 3: Computational data for a representative material system: MnNF, MnNCl, and their VdW heterojunctions.

a Estimation of Curie temperatures for MnNF and MnNCl by Monte-Carlo simulations based on a Heisenberg Hamiltonian model that is fitted to both HSE06 and PBE + U results. b, c Orbital-projected band structures of MnNF and MnNCl; d The relaxed structure of MnNF/MnNCl heterojunction. Band structures of MnNF/MnNCl heterojunction (with SOC) with FM stacking order e without and f with a shift of the MnNF layer relative to the MnNCl layer by 0.5 Å along the y direction are shown.

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