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posted on 2024-08-19, 04:01 authored by Yunlai Zhu, Tengteng Yuan, Junjie Zhang, Xi Sun, Yongjie Zhao, Ying Zhu, Zuyu Xu, Zuheng Wu, yue dai, Fei Yang
Band structures of monolayer GdF2 with the SOC effect in the FM ground state at the HSE06 level in Fig.S1; plane-averaged electrostatic potentials of monolayer GdF2 and Sc2CO2 in Fig.S2; DOS diagram of GdF2/Sc2CO2 multiferroic heterojunction in Fig.S3; band structures and the variation curves of valley splitting of GdF2/Sc2CO2 multiferroic heterojunction under different U values in Fig.S4; band structure and variation curves of valley splitting of GdF2/Sc2CO2 multiferroic heterojunctions with different biaxial strains under PBE+U method in Fig.S5-S7; optimized lattice constant, interlayer distance, minimum distance between F and O atom and binding energy of the GdF2/Sc2CO2 vdW heterostructures in Table.S1; the energy difference between ferromagnetic and antiferromagnetic configurations of GdF2/Sc2CO2 multiferroic heterostructure under different polarization directions in Table.S2.

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