Electronic and magnetic properties of Pd-Ni multilayers: Study using density functional theory

Abstract Electronic and magnetic properties of Pd-Ni multilayers have been studied using VASP method in the framework of the density functional theory (DFT). The calculations performed for different configurations (Pd n /Ni m (1 1 1), where n Pd layers are piled up over m Ni layers with n =0 to 4 and n+m= 4), reveal that the important magnetic moment of Ni is significantly enhanced according as n increases due to hybridization effects between Pd and Ni mostly localized at the interface. The results also indicate that the Pd atoms are strongly polarized in the studied systems when compared with the pure metal.