Intrinsic Magnetic Properties of L10-Based Mn-Al and Fe-Co-Pt Alloys

Authors

Priyanka Manchanda, University of Nebraska-LincolnFollow
Ralph Skomski, University of Nebraska-LincolnFollow
Jeffrey E. Shield, University of Nebraska-LincolnFollow
S. Constantinides, Arnold Magnetic Technologies
Arti Kashyap, LMN Institute of Information TechnologyFollow

Date of this Version

2012

Citation

REPM'12 - Proceedings of the 22nd International Workshop on Rare-Earth Permanent M O2-1530 agnets and their Applications

Comments

Copyright 2012. Used by permission

Abstract

Density functional theory is used to investigate how atomic substitutions modify the magnetization and anisotropy of L10-ordered ferromagnets. Our VASP supercell calculations focus on two classes of materials: Mn-Al-(Fe) and Fe-Co-Pt. We find that the Mn and Al moments in pure MnAl are 2.420 μ_B and -0.61 μ_B per atom, respectively. The calculated zero temperature anisotropy is 1.77 MJ/m³. Replacing 50% of Mn by Fe enhances the anisotropy from 1.77 MJ/m³ to 2.50 MJ/m³ but reduces the magnetization. We have also calculated the magnetic moments of L1₀-ordered Fe_1-xCo_xPt with various degrees of Fe-Co disorder. Configurational supercell averaging shows that the net moment decreases systematically with Co concentration, but the individual Fe and Co moments depend on the number of Fe-Co bonds.