• Formula : RbCuO2
  • Space Group : Cmcm (63)
    Centrosymmetric : True
    Dimensionality : 2D
  • Structure parameters
    a = 4.78
    b = 12.02
    c = 5.43
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 8
    Total number of electrons per primitive cell = 64
  • Band gap = 0.9467 eV
    Direct Gap = 1.340 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Die Kristallstruktur von K Cu O2, Rb Cu O2 und Cs Cu O2,
    Zeitschrift fuer Anorganische und Allgemeine Chemie 367, 249 (1969)

Band structure with spin-orbit coupling