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<p>In this work, we investigate the effect of strain on the magnetic anisotropy of FeCo monolayers, using the full-potential linearized augmented plane wave (FPLAPW) method as implemented in the Fleur code. For the exchange interactions, we applied the generalized gradient approximation (GGA). Our calculations, based on total energy (TE) and force theorem (FT) methods, show that the easy axis of magnetization for the unconstrained monolayer (<i>a</i> = 4.02&#xa0;Å) is oriented in-plane, while the hard axis is perpendicular to the plane, and we determined the magnetocrystalline anisotropy (MCA) values are 2.28&#xa0;meV and 2.46&#xa0;meV, respectively. Moreover, we found that the MCA, caused by spin–orbit coupling (SOC), induces an easy axis in-plane under contraction strain, but with a small elongation of 0.25%, a switch to an out-of-plane easy axis (<i>θ</i> = 0° and <i>φ</i> = 0°) occurs. Additionally, the MCA value decreases from −0.1&#xa0;meV to −0.73&#xa0;meV. Our results also demonstrate that the MCA is proportional to both the spin magnetic moment and the orbital magnetic moment.</p>

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Study of the Strain Effect on the Magnetic Anisotropy of the Iron Cobalt Monolayer

  • 期刊论文

  • 发表日期：

    2025年9月13日

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  • Abdelmadjid Boussendel

摘要

In this work, we investigate the effect of strain on the magnetic anisotropy of FeCo monolayers, using the full-potential linearized augmented plane wave (FPLAPW) method as implemented in the Fleur code. For the exchange interactions, we applied the generalized gradient approximation (GGA). Our calculations, based on total energy (TE) and force theorem (FT) methods, show that the easy axis of magnetization for the unconstrained monolayer (a = 4.02 Å) is oriented in-plane, while the hard axis is perpendicular to the plane, and we determined the magnetocrystalline anisotropy (MCA) values are 2.28 meV and 2.46 meV, respectively. Moreover, we found that the MCA, caused by spin–orbit coupling (SOC), induces an easy axis in-plane under contraction strain, but with a small elongation of 0.25%, a switch to an out-of-plane easy axis (θ = 0° and φ = 0°) occurs. Additionally, the MCA value decreases from −0.1 meV to −0.73 meV. Our results also demonstrate that the MCA is proportional to both the spin magnetic moment and the orbital magnetic moment.