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arXiv · 2409.11388

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

Wojciech Marciniak·Joanna Marciniak·José Ángel Castellanos-Reyes·Mirosław Werwiński
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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.

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Wojciech Marciniak, Joanna Marciniak, José Ángel Castellanos-Reyes, Mirosław Werwiński. 2024-09-17. Giant magnetocrystalline anisotropy energy in Fe--Co alloy under uniaxial compression: first-principles prediction. https://arxiv.org/abs/2409.11388

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