Gao, Qiang ; Opahle, Ingo ; Gutfleisch, Oliver ; Zhang, Hongbin (2020)
Designing rare-earth free permanent magnets in heusler alloys via interstitial doping.
In: Acta Materialia, 186
doi: 10.1016/j.actamat.2019.12.049
Artikel, Bibliographie
Kurzbeschreibung (Abstract)
Based on high-throughput density functional theory calculations, we investigated the effects of light interstitial H, B, C, and N atoms on the magnetic properties of cubic Heusler alloys, with the aim to design new rare-earth free permanent magnets. It is observed that the interstitial atoms induce significant tetragonal distortions, leading to 32 candidates with large ( > 0.4 MJ/m3) uniaxial magneto-crystalline anisotropy energies (MAEs) and 10 cases with large in-plane MAEs. Detailed analysis following the perturbation theory and chemical bonding reveals the strong MAE originates from the local crystalline distortions and thus the changes of the chemical bonding around the interstitials. This provides a valuable way to tailor the MAEs to obtain competitive permanent magnets, filling the gap between high performance Sm-Co/Nd-Fe-B and widely used ferrite/AlNiCo materials.
| Typ des Eintrags: | Artikel |
|---|---|
| Erschienen: | 2020 |
| Autor(en): | Gao, Qiang ; Opahle, Ingo ; Gutfleisch, Oliver ; Zhang, Hongbin |
| Art des Eintrags: | Bibliographie |
| Titel: | Designing rare-earth free permanent magnets in heusler alloys via interstitial doping |
| Sprache: | Englisch |
| Publikationsjahr: | 3 Januar 2020 |
| Verlag: | Elsevier |
| Titel der Zeitschrift, Zeitung oder Schriftenreihe: | Acta Materialia |
| Jahrgang/Volume einer Zeitschrift: | 186 |
| DOI: | 10.1016/j.actamat.2019.12.049 |
| URL / URN: | https://doi.org/10.1016/j.actamat.2019.12.049 |
| Kurzbeschreibung (Abstract): | Based on high-throughput density functional theory calculations, we investigated the effects of light interstitial H, B, C, and N atoms on the magnetic properties of cubic Heusler alloys, with the aim to design new rare-earth free permanent magnets. It is observed that the interstitial atoms induce significant tetragonal distortions, leading to 32 candidates with large ( > 0.4 MJ/m3) uniaxial magneto-crystalline anisotropy energies (MAEs) and 10 cases with large in-plane MAEs. Detailed analysis following the perturbation theory and chemical bonding reveals the strong MAE originates from the local crystalline distortions and thus the changes of the chemical bonding around the interstitials. This provides a valuable way to tailor the MAEs to obtain competitive permanent magnets, filling the gap between high performance Sm-Co/Nd-Fe-B and widely used ferrite/AlNiCo materials. |
| Fachbereich(e)/-gebiet(e): | 11 Fachbereich Material- und Geowissenschaften 11 Fachbereich Material- und Geowissenschaften > Materialwissenschaft 11 Fachbereich Material- und Geowissenschaften > Materialwissenschaft > Fachgebiet Funktionale Materialien 11 Fachbereich Material- und Geowissenschaften > Materialwissenschaft > Fachgebiet Theorie magnetischer Materialien |
| Hinterlegungsdatum: | 19 Mär 2020 07:17 |
| Letzte Änderung: | 13 Jan 2024 16:32 |
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