Science Advances

Supplementary Materials

This PDF file includes:

  • Table S1. Magnetic moment, bandgap, magnetocrystalline anisotropy energy, and Heisenberg exchange interactions J1 and J2.
  • Table S2. Parameters of the effective four-band model (see Eq. 1 in the main text) are used to fit the DFT-calculated band of CrI3/BS/CrI3.
  • Table S3. Analysis of band inversions and the Chern number CN with respect to parameters Δ, M, and B.
  • Fig. S1. DFT + SOC + U–calculated band structure of the CrI3 ML with pristine and stretched lattice constants.
  • Fig. S2. Top views of the three highly symmetric alignments between CrI3 and BS in CrI3/BS/CrI3 heterostructures.
  • Fig. S3. Dependence of the binding energies and the vdW gaps of CrI3/BS/CrI3 on the number (N) of QL of BS.
  • Fig. S4. Topological properties of CrI3/4QL-BS/CrI3.
  • Fig. S5. Topological properties of CrI3/5QL-BS/CrI3.
  • Fig. S6. DFT-calculated (black lines) and fitted band structures (red dashed lines) of CrI3/BS/CrI3 based on the effective four-band model (see Eq. 1 in the main text).
  • Fig. S7. Effect of U on the topological properties of CrI3/BS/CrI3.

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