• Formula : GeSe
  • Space Group : Pnma (62)
    Centrosymmetric : True
    Dimensionality : 2D
  • Structure parameters
    a = 4.38
    b = 3.82
    c = 10.79
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 8
    Total number of electrons per primitive cell = 40
  • Band gap = 0.5998 eV
    Direct Gap = 0.700 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    The crystal structure of germanium selenide = Ge Se,
    Journal of the Physical Society of Japan 13, 1151 (1958)

Band structure with spin-orbit coupling