Abstract
In this work, electronic, optical and the magnetic properties of cubic ZnS doped with the transition metal (TM) Mn were numerically studied using the density functional theory code WIEN2K. The investigated concentrations included the compositional parameters x of 6.25%, 12.5% and 25% in Zn
1-x
Mn
x
S. Computed electronic band structures and density of states (DOS) showed a half-metallic, ferromagnetic behavior with a direct band gap. The energy gap was found to increase with dopant concentration. Furthermore, optical properties such as the imaginary (ε
2
) and the real (ε
1
) part of the dielectric function, reflection, refractive index, absorption coefficient and optical conductivity show new transition peaks appear with Mn doping. The obtained results make the Zn
1-x
Mn
x
S compound a promising candidate for spintronics devices.