Abstract
The ternary compound ZnIn2 S4 crystallizes in a number of layer-like polytypes, all of which characterized by the coexistence of both tetrahedral and octahedral bonds. The structural and electronic properties of its most common polytype, the a-phase, have been investigated by using a first principle density-functional pseudopotential approach and two sets of norm conserving pseudopotentials. While both sets have given results in good agreement with the experiment, some non negligible differences have been found.
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