ELECTRONIC STRUCTURE AND MAGNETISM OF Mn1-xPdx ALLOYS

Abstract

An ab initio linearized augmented plane-wave method has been employed to calculate the electronic and magnetic structures of both face-centered-cubic and body-centered-cubic Mn 1-x Pd x alloys with x=0, 0.25, 0.5, 0.75 and 1, respectively. The calculated result for fcc Mn 1-x Pd x alloys at different concentrations shows that fcc Mn 1-x Pd x alloys with x=0.5, 0.75 is ferromagnetic ordering. With low Pd concentration and pure Mn , it presents ferrimagnetic and antiferromagnetic ordering, respectively. As expected, pure Pd is paramagnetic ordering. For bcc Mn 1-x Pd x alloys with x=0, 0.5 and 0.75, the calculated result indicates that these alloys are ferromagnetic. For the Mn -rich alloy and pure Pd , however, it presents ferrimagnetic and paramagnetic ordering, respectively.