Electronic band structure of partially inverse spinel MgIn2S4 as calculated by the semiempirical pseudopotential method

The electronic band structure of the partially inverse spinel MgIn₂S₄ has been calculated on the symmetry lines ΓΛL, ΓΔX and ΓΣK by the semiempirical pseudopotential method. The general features of the band structure of MgIn₂S₄ are quite similar to those of the normal spinel CdIn₂S₄. The conduction band minimum is located at Γ and the valence band maximum is along the Σ line. The indirect energy gap (Γ_1cΣ_4v) is 2.50 eV. The effects of magnesium vacancy and variations in the cation distribution and in the parameter u are examined and shown to be small.