Effective field theory and Ab-initio calculation of p-type (Ga, Fe)N within LDA and SIC approximation

Based on first-principles spin-density functional calculations, using the Korringa–Kohn–Rostoker method combined with the coherent potential approximation, we investigated the half-metallic ferromagnetic behavior of (Ga, Fe)N co-doped with carbon within the self-interaction-corrected local density approximation. Mechanism of hybridization and interaction between magnetic ions in p-type (Ga, Fe)N is investigated. Stability energy of ferromagnetic and disorder local moment states was calculated for different carbon concentration. The local density and the self-interaction-corrected approximations have been used to explain the strong ferromagnetic interaction observed and the mechanism that stabilizes this state. The transition temperature to the ferromagnetic state has been calculated within the effective field theory, with a Honmura–Kaneyoshi differential operator technique. ► The paper focus on the study the magnetic properties and electronic structure of p-type (Ga, Fe)N within LDA and SIC approximation. ► These methods allow us to explain the strong ferromagnetic interaction observed and the mechanism for its stability and the mechanism of hybridization and interaction between magnetic ions in p-type (Ga, Fe). ► The results obtained are interesting and can be serve as a reference in the field of dilute magnetic semi conductor.