Half Metallic Ferromagnetic Character in ZnXP2 (X = Ge, Si) Chalcopyrites Doped with Mn

Abstract

The electronic and the magnetic properties of ZnXP2 (X = Ge, Si) were studied using the Korring-Kohn-Rostoker (KKR) method combined with the coherent potential approximation (CPA). The total and partial density of state (DOS) are computed for different Mn concentrations. The total magnetic moment, FM and DLM energies, and their variation as well as Curie temperature are also given. It is shown that the substitution of X cations (X = Ge, Si) by Mn atoms in ZnXP2 chalcopyrites leads to half metallic ferromagnetic character with double exchange mechanism. Thus, the critical temperature can be controlled by varying the concentration of manganese impurity.