Giant magnetocrystalline anisotropy energy in Fe--Co alloy under uniaxial compression: first-principles prediction

TL;DR

This study predicts that uniaxial compression can induce high magnetocrystalline anisotropy energy in Fe-Co alloys, offering a promising route for developing rare-earth-free permanent magnets.

Contribution

It provides the first-principles prediction of high MAE in Fe-Co alloys under uniaxial compression, identifying new structures with potential magnetic applications.

Findings

High MAE region identified under uniaxial compression

Distinct from known alloy structures

Accessible via strain engineering

Abstract

Uniaxially strained Fe--Co disordered alloys have emerged as promising candidates for cost-effective rare-earth-free permanent magnets due to their high magnetocrystalline anisotropy energy (MAE). Using first-principles, fully relativistic calculations within the coherent potential approximation and PBE exchange-correlation potential, we explore the MAE of tetragonal Fe--Co alloys under uniaxial compression. Our results reveal a previously uncharted high-MAE region, distinct from known structures and accessible through uniaxial compression.