A systematic investigation on electronic and optical properties of pure ZnS and Ni-doped ZnS with different doping levels was performed by using the first principle plane-wave pseudo potential method. Calculation results showed that the density of states near Fermi energy level were dominated by Ni orbits in Ni-doped ZnS systems. Subsequently, narrower band gap was obtained for Ni-doped ZnS with higher doping level. Moreover, with increasing Ni-doping level, the decrease of absorption coefficient and red shift of absorption spectra were observed in Ni-doped ZnS. In addition, a new peak of opti...
