• Formula : TeO2
  • Space Group : Pbca (61)
    Centrosymmetric : True
    Dimensionality : 2D
  • Structure parameters
    a = 5.5
    b = 11.75
    c = 5.59
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 24
    Total number of electrons per primitive cell = 144
  • Band gap = 0.1166 eV
    Direct Gap = 0.231 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 tellurite (Te O2),
    Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) 102, 13 (1940)

Band structure with spin-orbit coupling