• Formula : PbO
  • Space Group : Pbcm (57)
    Centrosymmetric : True
    Dimensionality : 2D
  • Structure parameters
    a = 5.876
    b = 5.476
    c = 4.743
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 8
    Total number of electrons per primitive cell = 80
  • Band gap = 1.8544 eV
    Direct Gap = 2.040 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Neutron-diffraction study of orthorhombic lead monoxide,
    Acta Crystallographica (1,1948-23,1967) 14, 66 (1961)

Band structure with spin-orbit coupling