Data-driven design of a new class of rare-earth free permanent magnets
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arXiv
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| Natura: | Preprint |
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2021
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| author | Vishina, Alena Hedlund, Daniel Shtender, Vitalii Delczeg-Czirjak, Erna K. Larsen, Simon R. Vekilova, Olga Yu. Huang, Shuo Vitos, Levente Svedlindh, Peter Sahlberg, Martin Eriksson, Olle Herper, Heike C. |
| author_facet | Vishina, Alena Hedlund, Daniel Shtender, Vitalii Delczeg-Czirjak, Erna K. Larsen, Simon R. Vekilova, Olga Yu. Huang, Shuo Vitos, Levente Svedlindh, Peter Sahlberg, Martin Eriksson, Olle Herper, Heike C. |
| contents | A new class of rare-earth-free permanent magnets is proposed. The parent compound of this class is Co$_3$Mn$_2$Ge, and its discovery is the result of first principles theory combined with experimental synthesis and characterisation. The theory is based on a high-throughput/data-mining search among materials listed in the ICSD database. From ab-initio theory of the defect free material it is predicted that the saturation magnetization is 1.71 T, the uniaxial magnetocrystalline anisotropy is 1.44 MJ/m$^3$, and the Curie temperature is 700 K. Co$_3$Mn$_2$Ge samples were then synthesized and characterised with respect to structure and magnetism. The crystal structure was found to be the MgZn$_2$-type, with partial disorder of Co and Ge on the crystallographic lattice sites. From magnetization measurements a saturation polarization of 0.86 T at 10 K was detected, together with a uniaxial magnetocrystalline anisotropy constant of 1.18 MJ/m$^3$, and the Curie temperature of $T_{\rm C}$ = 359 K. These magnetic properties make Co$_3$Mn$_2$Ge a very promising material as a rare-earth free permanent magnet, and since we can demonstrate that magnetism depends critically on the amount of disorder of the Co and Ge atoms, a further improvement of the magnetism is possible. From the theoretical works, a substitution of Ge by neighboring elements suggest two other promising materials - Co$_3$Mn$_2$Al and Co$_3$Mn$_2$Ga. We demonstrate here that the class of compounds based on $T_3$Mn$_2$X (T = Co or alloys between Fe and Ni; X=Ge, Al or Ga) in the MgZn$_2$ structure type, form a new class of rare-earth free permanent magnets with very promising performance. |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_2101_10773 |
| institution | arXiv |
| publishDate | 2021 |
| record_format | arxiv |
| spellingShingle | Data-driven design of a new class of rare-earth free permanent magnets Vishina, Alena Hedlund, Daniel Shtender, Vitalii Delczeg-Czirjak, Erna K. Larsen, Simon R. Vekilova, Olga Yu. Huang, Shuo Vitos, Levente Svedlindh, Peter Sahlberg, Martin Eriksson, Olle Herper, Heike C. Materials Science A new class of rare-earth-free permanent magnets is proposed. The parent compound of this class is Co$_3$Mn$_2$Ge, and its discovery is the result of first principles theory combined with experimental synthesis and characterisation. The theory is based on a high-throughput/data-mining search among materials listed in the ICSD database. From ab-initio theory of the defect free material it is predicted that the saturation magnetization is 1.71 T, the uniaxial magnetocrystalline anisotropy is 1.44 MJ/m$^3$, and the Curie temperature is 700 K. Co$_3$Mn$_2$Ge samples were then synthesized and characterised with respect to structure and magnetism. The crystal structure was found to be the MgZn$_2$-type, with partial disorder of Co and Ge on the crystallographic lattice sites. From magnetization measurements a saturation polarization of 0.86 T at 10 K was detected, together with a uniaxial magnetocrystalline anisotropy constant of 1.18 MJ/m$^3$, and the Curie temperature of $T_{\rm C}$ = 359 K. These magnetic properties make Co$_3$Mn$_2$Ge a very promising material as a rare-earth free permanent magnet, and since we can demonstrate that magnetism depends critically on the amount of disorder of the Co and Ge atoms, a further improvement of the magnetism is possible. From the theoretical works, a substitution of Ge by neighboring elements suggest two other promising materials - Co$_3$Mn$_2$Al and Co$_3$Mn$_2$Ga. We demonstrate here that the class of compounds based on $T_3$Mn$_2$X (T = Co or alloys between Fe and Ni; X=Ge, Al or Ga) in the MgZn$_2$ structure type, form a new class of rare-earth free permanent magnets with very promising performance. |
| title | Data-driven design of a new class of rare-earth free permanent magnets |
| topic | Materials Science |
| url | https://arxiv.org/abs/2101.10773 |