• Formula : HfBrN
  • Space Group : Pmmn (59)
    Centrosymmetric : True
    Dimensionality : 2D
  • Structure parameters
    a = 4.1165
    b = 3.5609
    c = 8.644
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 6
    Total number of electrons per primitive cell = 48
  • Band gap = 2.226 eV
    Direct Gap = 2.226 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Synthesis and crystal structure of the alpha polytype of Hf N Br,
    Solid State Sciences 4, 475 (2002)

Band structure with spin-orbit coupling