ELECTRONIC-STRUCTURES OF HETEROCRYSTALLINE SEMICONDUCTOR SUPERLATTICES

Crystal structures of hetero-crystalline superlattices made of materials with different crystalline structures are proposed and band structures of (hexagonal-diamond Si)/(cubic-diamond Si) and (wurzite ZnS)/(zinc-blende ZnS) superlattices are calculated using the first-principles pseudopotential method within the local density approximation. It is shown that, in both superlattices, the states around the fundamental gap show charge densities localized in one constituent layer, indicating that these superlattices give quantum well systems of good quality. Band offsets are also evaluated.