Effect of tetragonality on the magnetic preference, elasticity and magnetocrystalline anisotropy of L10-FeM(M = Ni, Pd, Pt) alloys

Abstract

The effect of tetragonality on the magnetocrystalline anisotropy of L10-FeM(M = Ni, Pd and Pt) ordered alloys is widely concerned, but its effect on other physical properties is not well understood. In this paper, the impact of tetragonality on the magnetic preference, lattice dynamics and elasticity, as well as magnetocrystalline anisotropy of these L10 ordered alloys are systematically investigated based on the first-principles methods. The antiferromagnetic FeNi and FePd alloys are metastable within appropriate axial ratio c/a range, although the ferromagnetic state is ground-state stable. The reduced axial ratio c/a favors the antiferromagnetic state over the ferromagnetic state for the FePt alloy. The tetragonality has a non-monotonic effect on the Young’s modulus and shear modulus, while the bulk modulus is almost tetragonality independent for all L10 ordered alloys. The uniaxial magnetocrystalline anisotropy increases with tetragonality in the fe rromagnetic state, while it shows different trends in the antiferromagnetic state. Interestingly, the antiferromagnetic FePt exhibits planar magnetocrystalline anisotropy in a wide axial ratio c/a range, and a transition between hard magnetic and semi-hard magnetic at c/a = 1.45 is discovered for the FePd alloy. These intriguing properties induced by tetragonality provide us a deeper understanding of the potential rare-earth-free permanent magnet L10 alloys.