The magnetic characteristics and electronic configuration of GAN compound modified by individual impurities (Fe and Ni)

The Korringa–Kohn–Rostoker (KKR) method coupled with the coherent potential approximation (CPA) is employed to examine the magnetic characteristics and electronic configuration of GaN that has been infused with individual impurities (Fe and Ni). The partial and total DOS of all systems were determined. Our investigation focuses on assessing the impact of varying doping concentrations on the band gap and total energies. To comprehensively explore this subject, we analyze and interpret the magnetic moment of GaN substances across a range of doping concentrations. KEY WORDS: Electronic structure, Magnetic proprieties, Band gap, KKR method, CPA approximation, GaN compounds Bull. Chem. Soc. Ethiop. 2024, 38(6), 1861-1868. DOI: https://dx.doi.org/10.4314/bcse.v38i6.27