Electronic structure of Mn-doped ZnS nanocrystals

This is the authors' abstract. We don't add key points for this paper.

The effects of the inclusion of manganese in small ZnS nanocrystals are investigated. Our calculation is based on a tight-binding model with renormalized parameters similar to those of the defect-molecule approach for substitutional transition-metal ions in semiconductors. The nanocrystals of Mn-doped ZnS were 1.1--3.6 nm. Their electronic and optical properties differed from bulk ZnS:Mn and ZnS nanocrystals. It is shown that in addition to confinement effects, doping enhances the energy gap.