MFe6 X4 system (M = Mg, Sc, Zr; X = Al, Si, P, Ga, Ge, In, Sn, Sb) as possible ‘gap’ magnets
LiFe6Ge4, with a theoretically predicted saturation magnetization of 1 T, a magnetocrystalline anisotropy energy of 1.78 MJ/m3 and a Curie temperature of 620 K was suggested to be a promising permanent magnet as an outcome of a data-mining search. Magnetic measurements of the synthesized sample are...
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| Format: | Article |
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Taylor & Francis Group
2025-12-01
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| Series: | Science and Technology of Advanced Materials |
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| Online Access: | https://www.tandfonline.com/doi/10.1080/14686996.2025.2527024 |
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| author | Alena Vishina Rebecca Clulow Daniel Hedlund Vitalii Shtender Peter Svedlindh Martin Sahlberg Olle Eriksson Heike C. Herper |
| author_facet | Alena Vishina Rebecca Clulow Daniel Hedlund Vitalii Shtender Peter Svedlindh Martin Sahlberg Olle Eriksson Heike C. Herper |
| author_sort | Alena Vishina |
| collection | DOAJ |
| description | LiFe6Ge4, with a theoretically predicted saturation magnetization of 1 T, a magnetocrystalline anisotropy energy of 1.78 MJ/m3 and a Curie temperature of 620 K was suggested to be a promising permanent magnet as an outcome of a data-mining search. Magnetic measurements of the synthesized sample are reported here. Unfortunately, experiments revealed a weak ferromagnetic behaviour with magnetization values much below that predicted by theory. This discrepancy is analyzed in detail, and is attributed to the trigonal crystal symmetry that was missed in the previous characterisation of the material. The correct crystal structure is R[Formula: see text] mH (space group 166) and it is found here to have an antiferromagnetic ground state, as opposed to a theoretically predicted ferromagnetic state of the previously reported monoclinic crystal structure. Theoretical calculations show that element substitution can stabilize a ferromagnetic state of the trigonal crystal structure, with high values of saturation magnetization and magnetocrystalline anisotropy. The best results are seen for the Al or Ga substitution for Ge of the LiFe6 X4 compound. |
| format | Article |
| id | doaj-art-d45fdea4ddc240d39dc9f3481e79b520 |
| institution | Kabale University |
| issn | 1468-6996 1878-5514 |
| language | English |
| publishDate | 2025-12-01 |
| publisher | Taylor & Francis Group |
| record_format | Article |
| series | Science and Technology of Advanced Materials |
| spelling | doaj-art-d45fdea4ddc240d39dc9f3481e79b5202025-08-20T04:02:17ZengTaylor & Francis GroupScience and Technology of Advanced Materials1468-69961878-55142025-12-0126110.1080/14686996.2025.2527024MFe6 X4 system (M = Mg, Sc, Zr; X = Al, Si, P, Ga, Ge, In, Sn, Sb) as possible ‘gap’ magnetsAlena Vishina0Rebecca Clulow1Daniel Hedlund2Vitalii Shtender3Peter Svedlindh4Martin Sahlberg5Olle Eriksson6Heike C. Herper7Department of Physics and Astronomy, Uppsala University, Uppsala, SwedenDepartment of Chemistry - Ångström, Uppsala University, Uppsala, SwedenDepartment of Materials Science and Engineering, Uppsala University, Uppsala, SwedenDepartment of Chemistry - Ångström, Uppsala University, Uppsala, SwedenDepartment of Materials Science and Engineering, Uppsala University, Uppsala, SwedenDepartment of Chemistry - Ångström, Uppsala University, Uppsala, SwedenDepartment of Physics and Astronomy, Uppsala University, Uppsala, SwedenDepartment of Physics and Astronomy, Uppsala University, Uppsala, SwedenLiFe6Ge4, with a theoretically predicted saturation magnetization of 1 T, a magnetocrystalline anisotropy energy of 1.78 MJ/m3 and a Curie temperature of 620 K was suggested to be a promising permanent magnet as an outcome of a data-mining search. Magnetic measurements of the synthesized sample are reported here. Unfortunately, experiments revealed a weak ferromagnetic behaviour with magnetization values much below that predicted by theory. This discrepancy is analyzed in detail, and is attributed to the trigonal crystal symmetry that was missed in the previous characterisation of the material. The correct crystal structure is R[Formula: see text] mH (space group 166) and it is found here to have an antiferromagnetic ground state, as opposed to a theoretically predicted ferromagnetic state of the previously reported monoclinic crystal structure. Theoretical calculations show that element substitution can stabilize a ferromagnetic state of the trigonal crystal structure, with high values of saturation magnetization and magnetocrystalline anisotropy. The best results are seen for the Al or Ga substitution for Ge of the LiFe6 X4 compound.https://www.tandfonline.com/doi/10.1080/14686996.2025.2527024Permanent magnetsmagnetic anisotropyDFTmagnetismrare-earth-free |
| spellingShingle | Alena Vishina Rebecca Clulow Daniel Hedlund Vitalii Shtender Peter Svedlindh Martin Sahlberg Olle Eriksson Heike C. Herper MFe6 X4 system (M = Mg, Sc, Zr; X = Al, Si, P, Ga, Ge, In, Sn, Sb) as possible ‘gap’ magnets Science and Technology of Advanced Materials Permanent magnets magnetic anisotropy DFT magnetism rare-earth-free |
| title | MFe6 X4 system (M = Mg, Sc, Zr; X = Al, Si, P, Ga, Ge, In, Sn, Sb) as possible ‘gap’ magnets |
| title_full | MFe6 X4 system (M = Mg, Sc, Zr; X = Al, Si, P, Ga, Ge, In, Sn, Sb) as possible ‘gap’ magnets |
| title_fullStr | MFe6 X4 system (M = Mg, Sc, Zr; X = Al, Si, P, Ga, Ge, In, Sn, Sb) as possible ‘gap’ magnets |
| title_full_unstemmed | MFe6 X4 system (M = Mg, Sc, Zr; X = Al, Si, P, Ga, Ge, In, Sn, Sb) as possible ‘gap’ magnets |
| title_short | MFe6 X4 system (M = Mg, Sc, Zr; X = Al, Si, P, Ga, Ge, In, Sn, Sb) as possible ‘gap’ magnets |
| title_sort | mfe6 x4 system m mg sc zr x al si p ga ge in sn sb as possible gap magnets |
| topic | Permanent magnets magnetic anisotropy DFT magnetism rare-earth-free |
| url | https://www.tandfonline.com/doi/10.1080/14686996.2025.2527024 |
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