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Formula : Bi
2
Te
3
Space Group :
R-3m (166)
Centrosymmetric : True
Dimensionality : 2D
Structure parameters
a = 10.47
b = 10.47
c = 10.47
α = 24.14
β = 24.14
γ = 24.14
Number of atoms per primitive cell = 5
Total number of electrons per primitive cell = 28
Band gap = 0.0867 eV
Direct Gap = 0.094 eV
Metallicity = 0.000
Topological Z2 indices ν = (1;000)
scf.in
-
scf.out
-
bands.in
-
bands.out
Reference:
ICSD Collection Code: 15753
Band structure with spin-orbit coupling