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| Main Authors: | , , , , , , , , |
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| Format: | Preprint |
| Published: |
2025
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| Subjects: | |
| Online Access: | https://arxiv.org/abs/2512.07285 |
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Table of Contents:
- Nd$_{2}$Fe$_{14}$B -- a widely used permanent magnet -- has magnetocrystalline anisotropy constants that differ between the bulk and interface regions. This study explores the effects of lattice distortion on the magnetocrystalline anisotropy ($K_{\rm u}$) and magnetization of (Nd$_{1-x}$Pr$_x$)$_2$Fe$_{14}$B. Nd$_2$Fe$_{14}$B alloys were fabricated; scanning transmission electron microscopy revealed a compressive strain of up to 25% near grain boundaries. Using the full-potential Korringa--Kohn--Rostoker method, we calculated the strain dependence of $K_{\rm u}$, showing that although $K_{\rm u}$ is 4.2 MJ/m$^3$ under strain-free conditions at 0 K, it becomes negative in regions with 25% compressive strain. Additionally, Pr$_{2}$Fe$_{14}$B exhibits a larger $K_{\rm u}$ than Pr$_{2}$Fe$_{14}$B under undistorted conditions, whereas Pr-rich alloys exhibit a more pronounced reduction in $K_{\rm u}$ under strain. These findings highlight the critical influence of lattice distortions on magnetic properties. The calculated strain-dependent magnetic anisotropy parameters provide valuable inputs for future micromagnetic simulations, aiding the design of advanced magnetic materials.