ELECTRONIC STRUCTURE AND MAGNETISM OF Ni_xMn_1-x ALLOYS

Abstract

The electronic and magnetic structures of both bcc and fcc ordered Ni x Mn 1-x alloys, with x = 0, 0.25, 0.5, 0.75, and 1, are performed using the first principle linearized augmented plane-wave (LAPW) method within the framework of local spin-density functional approximation (LSDA). It is shown that fcc Ni x Mn 1-x with x = 1, 0.75 is ferromagnetic ordering, which is in good agreement with the experiments. At the equiatomic composition of Ni x Mn 1-x with x = 0.5, it is antiferromagnetic ordering. With the lower Ni composition, it presents ferrimagnetic and antiferromagnetic ordering, respectively. For bcc Ni x Mn 1-x with both rich Ni and rich Mn composition, however, it presents ferromagnetic and ferrimagnetic ordering, respectively. At the equiatomic Ni x Mn 1-x with x = 0.5, it presents ferromagnetic ordering.