Electronic States of Nanosystems Based on Cadmium Sulfide in the Zinc-Blende Form

The electronic structure of nanosystems based on cadmium sulfide in the zinc-blende form (zb-CdS) is investigated using the method of density functional theory with the application of pseudopotentials. It is shown that this approach makes it possible to adequately describe the electronic states of this material. It is found that the (100)-zb-CdS surface is characterized by a metal-like electronic-state density, while the (110)-zb-CdS surface corresponds to the band gap at the Fermi level and nanofilms with this orientation can be used as a material for semiconductor devices. Epitaxial layered (110)-zb-CdS–Si nanosystems also manifest semiconductor properties.