ELECTRON BAND-STRUCTURE OF ALPHA-ZNIN2S4 AND RELATED POLYTYPES

Pseudopotential calculations have been carried out for the α, β and γ polytypic forms of the layer semiconductor ZnIn2S4, respectively, corresponding to space groups C53v, C13v and D33d. The required form factors are consistent with those used in our previous calculations for ZnS and CdIn2S4. The band structure of the α phase, the only one up to now for which optical data are available, compares quite satisfyingly with very recent photoemission and reflectivity experimental data. The computed band structures of the β and γ phases are very alike; on the contrary, interesting differences exist between these structures and the α phase which could easily be verified by experimental investigations. © 1979.