Unveiling potential candidates for rare-earth-free permanent magnet and magnetocaloric effect applications: a high throughput screening in Fe-N alloys
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arXiv
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| Autori principali: | , , , , |
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| Natura: | Preprint |
| Pubblicazione: |
2025
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| _version_ | 1866908497849876480 |
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| author | Gao, Qiang Bao, Ergen Shahid, Ijaz Ma, Hui Chen, Xing-Qiu |
| author_facet | Gao, Qiang Bao, Ergen Shahid, Ijaz Ma, Hui Chen, Xing-Qiu |
| contents | Based on high-throughput density functional theory calculations, we have found 49 ferromag-netic cases in FexN1-x (0<x<1) compounds, focusing especially on permanent magnet and giant magnetocaloric effect applications. It is found that 15 compounds are potential permanent mag-nets with a magneto-crystalline anisotropy energy more than 1 MJ/m3, filling in the gap of appli-cation spectrum between high-performance and widely used permanents. Among the potential permanent magnets, Fe2N can be classified as a hard magnet while the other 14 compounds can be classified as semi-hard magnets. According to the calculations of magnetic deformation proxy, 40 compounds are identified as potential giant magnetocaloric effect candidates. We suspect that Fe-N compounds provide fine opportunities for applications in both rare-earth free permanent magnets and magnetocaloric effect. |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_2501_01607 |
| institution | arXiv |
| publishDate | 2025 |
| record_format | arxiv |
| spellingShingle | Unveiling potential candidates for rare-earth-free permanent magnet and magnetocaloric effect applications: a high throughput screening in Fe-N alloys Gao, Qiang Bao, Ergen Shahid, Ijaz Ma, Hui Chen, Xing-Qiu Materials Science Based on high-throughput density functional theory calculations, we have found 49 ferromag-netic cases in FexN1-x (0<x<1) compounds, focusing especially on permanent magnet and giant magnetocaloric effect applications. It is found that 15 compounds are potential permanent mag-nets with a magneto-crystalline anisotropy energy more than 1 MJ/m3, filling in the gap of appli-cation spectrum between high-performance and widely used permanents. Among the potential permanent magnets, Fe2N can be classified as a hard magnet while the other 14 compounds can be classified as semi-hard magnets. According to the calculations of magnetic deformation proxy, 40 compounds are identified as potential giant magnetocaloric effect candidates. We suspect that Fe-N compounds provide fine opportunities for applications in both rare-earth free permanent magnets and magnetocaloric effect. |
| title | Unveiling potential candidates for rare-earth-free permanent magnet and magnetocaloric effect applications: a high throughput screening in Fe-N alloys |
| topic | Materials Science |
| url | https://arxiv.org/abs/2501.01607 |