• Formula : AuSe
  • Space Group : C2/m (12)
    Centrosymmetric : True
    Dimensionality : 2D
  • Structure parameters
    a = 8.355
    b = 3.663
    c = 6.262
    α = 90.0
    β = 106.03
    γ = 90.0
  • Number of atoms per primitive cell = 4
    Total number of electrons per primitive cell = 34
  • Band gap = 0.0 eV
    Direct Gap = 0.719 eV
    Metallicity = 0.042
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    The crystal structures of alpha-AuSe and beta-AuSe,
    Journal of the Less-Common Metals 48, 89 (1976)

Band structure with spin-orbit coupling