Abstract
Surface segregation leads to chemical disordering in magnetic alloy nanostructures and thus could have profound impact upon the magnetic properties of these nanostructures. In this study, we used the first-principles density functional theory calculation method to determine how Pt surface segregation (exchanging interior Pt with surface Fe atoms) would affect the magnetic properties of L10 ordered FePt nanoparticles. For both cuboid and cuboctahedral FePt nanoparticles, we predicted that the Pt surface segregation process could cause a decrease in total magnetic moments, a change in (easy and/or hard) magnetization axes, and a reduction in magnetic anisotropy.
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