Ab-initio study of tuning the electronic and magnetic properties of [formula omitted] Heusler alloy by Co and Mn compound doping

Abstract

We report the effects of Mn and Co doping on the electronic properties, magnetic exchange interaction, and Curie temperature of intermetallic Ni2MnGa by Green’s function based Korringa–Kohn–Rostoker method with coherent potential approximation(KKR-CPA). The effect of single and compound doping of Mn and Co at different crystallographic positions on these properties are evaluated by computing the electronic and magnetic structures of Ni2MnGa. The study revealed the possibility of tuning magnetic exchange interaction(Jij) and Curie temperature(TC) upon doping. Moreover, it is noted that doping can stabilize the Jahn–Teller distortion. It is also worth noting that TC responds in a different way with concentration as well as the site of the dopant. This study helps in understanding and realizing the cause for magnetic properties in Ni2MnGa, and experimental peers can also use it for further research on doped Ni2MnGa.