Electronic structure of ZnS/ZnSe superlattices

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Abstract
Ab initio electronic-structure calculations for ZnS/ZnSe (001) and (110) strained-layer superlattices are used to derive valence-band offsets at the interfaces and ‘‘absolute’’ deformation potentials of the constituent compounds. The calculated offset values depend sensitively on the assumed details of the structure (atomic positions) in the interface region. Bands of interface states are identified, and it was found that the dispersion and energy range of these also depend on structural details at the interfaces.