posted on 2024-08-21, 12:01authored byYunxi Qi, Jun Zhao, Hui Zeng
See the supplementary materials for the band structures, AIMD, Curie temperature, Bader analysis, and Berry curvature of the VSiGeP$_{4}$ monolayer and the VSiGeP$_{4}$/Al$_{2}$S$_{3}$ heterostructure. The atomic structures of the pristine VSiGeP$_{4}$ and Al$_{2}$S$_{3}$ monolayers are shown in Fig. S1, and their corresponding band structures are shown in Fig. S2. The AIMD results and distance temperature of the heterostructure are shown in Figs. S3-S4. The spin projection band structure of the heterostructure is shown in Fig. S5. The Berry curvature and circularly polarized light pumping of the heterostructure are shown in Fig. S6. The band considering dipole correction is shown in Fig. S7. The Bader charge analysis of the heterostructure and the electrostatic potential of monolayers are shown in Fig. S8-S10. The MAE and magnetic ground state of the heterostructure are shown in Fig. S11. The valley splitting and charge transfer of the heterostructure as functions of external electric field are shown in Fig. S12.