• Formula : Sr2RuO4
  • Space Group : I4/mmm (139)
    Centrosymmetric : True
    Dimensionality : 2D
  • Structure parameters
    a = 3.8867
    b = 3.8867
    c = 12.7473
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 7
    Total number of electrons per primitive cell = 60
  • Band gap = 0.0 eV
    Direct Gap = 0.080 eV
    Metallicity = 0.926
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Crystal structure and valence state of cations in the Sr2 Ru O4 lattice in a wide temperature range,
    Poverkhnostnye Fizika, Khimiya, Mekhanika 3, 99 (2001)

Band structure with spin-orbit coupling