First-principles calculations for studying effect of Tellurium (Te) doping on electronic properties, half-metallic ferromagnetism and “Curie temperature of V-doped AlSb DMS compound

Abstract

The electronic structure and magnetic features of intrinsic Al1-xVxSb, AlSb1-yTey and Al1-xVxSb1-yTey Tey diluted magnetic semiconductors (DMSs) compounds at various doping concentrations of x and y have been calculated in this study using Korringa-Kohn-Rostoker coherent-potential approximation (KKR-CPA), using a coupling local-density-functional approx-imation (LDA). Our structural parameters results showed generally agreement with the previous experimental and theoretical findings. The results of DOS demonstrate that incorporation of V-3d develops a half-metallic (HM) property in our compounds with an engendered bandgap at the Fermi energy in the down-spin state. In these materials, the stability of ferromagnetism (FM) is explained by contribution of both p-d interaction and Zener's double-exchange interaction mechanisms. Accordingly, it has been shown in our studied systems that ferromagnetic (FM) ground states are easily attainable, and that the measured Curie temperature (TC) of the (V, Te)-codoped AlSb system reaches a maximum of 1142.48K (Tcmax) and is far above room temperature (RT) and to that measured of V-doped AlSb compound (Tcmax = 364.18K) This fact and the very large Curie temperature of (V, Te)-codoped AlSb compound make inevitably this material a serious candidate for future electronic applications, especially for spintronics devices.