Abstract:
The electronic structure of nanosystems on the basis of cadmium sulfide in a blende phase ($zb$-CdS) is investigated using the method of the density functional theory and pseudo-potentials. It is shown that the used approach allows to describe electronic states of this material rather correctly. It is revealed that the surface (100) – $zb$-CdS is characterized by the metal-like density of electronic states while the surfaces (110) – $zb$-CdS has a forbidden band at the Fermi level, and nanofilms with this orientation can be used as material for semiconductor devices. Epitaxial layered nanosystems (110) – $zb$-CdS-Si also show semiconductor properties.
Keywords:CdS, ab initio modeling, forbidden band, electronic structure, nanosystems.