• Formula : GaTeCl
  • Space Group : Pnnm (58)
    Centrosymmetric : True
    Dimensionality : 2D
  • Structure parameters
    a = 5.852
    b = 14.466
    c = 4.082
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 12
    Total number of electrons per primitive cell = 104
  • Band gap = 2.0533 eV
    Direct Gap = 2.053 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Ga Te Cl - a tetrahedral layer structure with Ga-Te linking of the black phosphorus type,
    Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (33,1978-41,1986) 36, 1658 (1981)

Band structure with spin-orbit coupling