• Formula : Sr2TiO4
  • Space Group : I4/mmm (139)
    Centrosymmetric : True
    Dimensionality : 2D
  • Structure parameters
    a = 3.884
    b = 3.884
    c = 12.6
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 7
    Total number of electrons per primitive cell = 56
  • Band gap = 2.2547 eV
    Direct Gap = 2.423 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Electrical properties of the Sr2 Ru1-x Tix O4 solid solutions,
    Journal of the European Ceramic Society 27, 4287 (2007)

Band structure with spin-orbit coupling