The Band Structure of CdIn₂S₄ Calculated by the Pseudopotential Method

Abstract

The band structure of the spinel-type semiconductor CdIn 2 S 4 has been calculated on the symmetry lines \(\varGamma\)–\(\varLambda\)– L , \(\varGamma\)– Δ – X , \(\varGamma\)– Σ – K by the empirical-pseudopotential method. The form factors of the potential are those empirically determined by Cohen and Bergstresser and modified by Meloni and Mula. No adjustable parameter has been used in the calculation. It is found that the lowest energy gap of 2.43 eV is indirect one from Σ 4 to \(\varGamma_{1}\) and the direct gap of 2.50 eV is from \(\varGamma_{15}\) to \(\varGamma_{1}\). These values are in good agreement with available experimental information. The sensitivity of the energy levels has been also examined.