Ab initio calculations of the phase behavior and subsequent magnetostriction of Fe1−xGax within the disordered local moment picture

2021/03/10 by George A. Marchant, Christopher D. Woodgate, Christopher E. Patrick +1 · 1 voice · 1 citation
Materials Science · Physics and Astronomy · #Magnetic Properties and Applications #Magnetic properties of thin films #Magnetic Properties of Alloys

paper · doi:10.1103/physrevb.103.094414

openalex publication_date 2021/03/10 · openalex created_date 2025/10/10 · openalex updated_date 2026/07/02

Abstract

A holistic approach for studying both the nature of atomic order and finite-temperature magnetostrictive behavior in the binary alloy Galfenol (Fe_1\ensuremath-xGa_x, 0\ensuremath≤x\ensuremath≤0.25) is presented. The phase behavior is studied via atomistic modeling with inputs from ab initio calculations, and the ordered phases of interest at nonstoichiometric concentrations are verified to exhibit B2- and D0₃-like order. The finite-temperature magnetoelasticity of these phases, in particular the magnetoelastic constant B₁, is obtained within the same ab initio framework using disordered local moment theory. Our results provide an explanation for the origin of the experimentally observed peak and subsequent fall in the material's magnetostriction at x\ensuremath∼0.19, which has been disputed. In addition, we show that it is possible to enhance the magnetostriction of D0₃\ensuremath-Fe₃Ga by removing a small fraction of electrons from the system, suggesting that a Fe-Ga-Cu or Fe-Ga-Zn alloy could exhibit greater magnetostrictive properties than Galfenol.

Citations

• Spin–orbit induced magnetic phenomena in bulk metals and their surfaces and interfaces
• Zur Quantentheorie der Molekeln

Cited by

• Compositional phase stability in medium-entropy and high-entropy Cantor-Wu alloys from an ab initio all-electron Landau-type theory and atomistic modeling

Discussions

• Up first, my very first journal article, published in 2021 in Physical Review B: doi.org/10.1103/Phys... We studied the phase behaviour and #Magnetostrictive properties of Fe-Ga #Alloys using #Elect [bsky, 1 points, 0 comments]

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