Electronic, optical and magnetic characteristics of V doped BeS

Abstract

Electronic, magnetic and optical features of V doped BeS compound are obtained with FP-LAW technique. A comparative investigation is performed among electronic band structure (BS), total and partial density of states (PDOS) is presented with 6.25, 12.5, 18.75 and 25% concentration of V. The results of electronic BS and density of states (DOS) show half metallic ferromagnetic (HMF) behavior with direct band gap (Eg). The calculated Eg are 2.8, 2.9, 3.3 and 3.7 for Be0.9375V0.0625S, Be00875V0.125S, Be0.8125V0.1875S and Be0.75V0.25S, respectively. For the optical feedback of TM doped BeS material, the imaginary and real part of dielectric function has been studied with the absorption coefficient, extinction coefficient, reflectivity, optical conductivity, and refractive index up to 15 eV. It is noted that with the increment of Eg, the static dielectric constant increases. Furthermore, the magnetic characteristics of resultant compound are examined. The HMF nature of TM doped BeS in electronic and magnetic properties may makes resultant compounds a potential candidate for optical and spintronic appliances.