• Formula : SiC
  • Space Group : P6_3mc (186)
    Centrosymmetric : False
    Dimensionality : 3D
  • Structure parameters
    a = 3.076
    b = 3.076
    c = 5.048
    α = 90.0
    β = 90.0
    γ = 120.0
  • Number of atoms per primitive cell = 4
    Total number of electrons per primitive cell = 16
  • Band gap = 2.2495 eV
    Direct Gap = 3.971 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Electronic, optical, and structural properties of some wurtzite crystals,
    Physical Review B 48, 4335 (1993)


Band structure with spin-orbit coupling