Investigation of magneto-optoelectronics properties of Mg1-xMnxS alloys for optoelectronics and spintronic applications

Herein, the optical, electronic and magnetic properties of Mg_1-xMn_xS alloys are computed by employing density functional theory. The full-potential linearized augmented plane wave (FP-LAPW) method was used within the frame work of Wein2k to explore spin polarized band structure along with total and partial density of states. The results of spin polarized band structure calculations exhibited semiconducting character in both spin states. The net magnetic moment (μ_B) is primarily credited to presence of partially filled 3d state of Mn atom. μ_B gives evidence of p-d hybridization between orbitals of Mn and parent lattice ions. Optical characteristics of Mg_1-xMn_xS including dielectric constants along with relevant features have been reported at 0–10 eV energy range. High value of absorption coefficient and smaller reflectance in ultraviolet energy span suggests potentiality of doped alloy for optoelectronic applications. Moreover, ferromagnetic character makes it suitable for spintronic storage devices.