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| Main Authors: | , , , , , , |
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| Format: | Preprint |
| Published: |
2026
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| Subjects: | |
| Online Access: | https://arxiv.org/abs/2603.26864 |
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| _version_ | 1866914427357364224 |
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| author | Wu, Pengju Du, Jie Yao, Liang Li, Hang Zhou, Xiaodong Zhu, Tao Wang, Wenhong |
| author_facet | Wu, Pengju Du, Jie Yao, Liang Li, Hang Zhou, Xiaodong Zhu, Tao Wang, Wenhong |
| contents | The pursuit of high-performance, rare-earth-free magnetostrictive materials is crucial for advancing technologies in sensing, actuation, and microelectromechanical systems. Heusler alloys represent a promising, yet underexplored, class of materials for this purpose. In this work, we perform a systematic first-principles investigation of the magnetostrictive properties of 25 Co-based full Heusler alloys, Co$_2$YZ (Y = V, Cr, Mn, Fe, Co; Z = Al, Ga, Si, Ge, Sn). Our screening identifies 10 compounds with large predicted magnetostriction ($|λ_{001}| > 100$~ppm), highlighted by Co$_3$Si with a giant value of -966~ppm. Furthermore, we demonstrate two effective strategies for engineering magnetostriction: (i) tuning the Fermi level, which enhances the magnetostriction of Co$_3$Sn to -905~ppm via Sb doping, and (ii) amplifying the spin-orbit coupling, which boosts the magnetostriction of Co$_2$CrGa to a colossal -1008~ppm through Re substitution. Our analysis reveals a general predictive rule, uncovering a linear relationship between the magnetostriction and the choice of the Y-site transition metal. This work not only identifies novel candidates for magnetostrictive applications but also establishes clear, physically-grounded design principles to accelerate the discovery of new functional magnetic materials. |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_2603_26864 |
| institution | arXiv |
| publishDate | 2026 |
| record_format | arxiv |
| spellingShingle | Giant Magnetostriction by Design: A First-Principles Screening of Co-based Heusler Alloys Wu, Pengju Du, Jie Yao, Liang Li, Hang Zhou, Xiaodong Zhu, Tao Wang, Wenhong Materials Science The pursuit of high-performance, rare-earth-free magnetostrictive materials is crucial for advancing technologies in sensing, actuation, and microelectromechanical systems. Heusler alloys represent a promising, yet underexplored, class of materials for this purpose. In this work, we perform a systematic first-principles investigation of the magnetostrictive properties of 25 Co-based full Heusler alloys, Co$_2$YZ (Y = V, Cr, Mn, Fe, Co; Z = Al, Ga, Si, Ge, Sn). Our screening identifies 10 compounds with large predicted magnetostriction ($|λ_{001}| > 100$~ppm), highlighted by Co$_3$Si with a giant value of -966~ppm. Furthermore, we demonstrate two effective strategies for engineering magnetostriction: (i) tuning the Fermi level, which enhances the magnetostriction of Co$_3$Sn to -905~ppm via Sb doping, and (ii) amplifying the spin-orbit coupling, which boosts the magnetostriction of Co$_2$CrGa to a colossal -1008~ppm through Re substitution. Our analysis reveals a general predictive rule, uncovering a linear relationship between the magnetostriction and the choice of the Y-site transition metal. This work not only identifies novel candidates for magnetostrictive applications but also establishes clear, physically-grounded design principles to accelerate the discovery of new functional magnetic materials. |
| title | Giant Magnetostriction by Design: A First-Principles Screening of Co-based Heusler Alloys |
| topic | Materials Science |
| url | https://arxiv.org/abs/2603.26864 |