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| Hauptverfasser: | , , , , , , |
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| Format: | Preprint |
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2025
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| Online-Zugang: | https://arxiv.org/abs/2512.06842 |
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| _version_ | 1866908714253942784 |
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| author | Temnikov, Fedor Ushakov, Alexey V. Komleva, Evgenia V. Liu, Zhehong Long, Youwen Irkhin, Valentin Yu. Streltsov, Sergey V. |
| author_facet | Temnikov, Fedor Ushakov, Alexey V. Komleva, Evgenia V. Liu, Zhehong Long, Youwen Irkhin, Valentin Yu. Streltsov, Sergey V. |
| contents | Quadruple perovskites ACu$_3$Fe$_2$Re$_2$O$_{12}$ attract considerable interest due to their high Curie temperatures (up to $710$K), which strongly depend on the A-site cation. In this work, we employ first-principles calculations to investigate their electronic structure and magnetic exchange interactions. A band mechanism of magnetism that explains the antiferromagnetic character of the exchange interactions and their strong dependence on the filling of the Re $t_{2g}$ states is proposed. These antiferromagnetic interactions stabilize ferrimagnetic ground state. The calculated Curie temperatures, obtained within the Onsager reaction field theory, are in a good agreement with experimental data. |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_2512_06842 |
| institution | arXiv |
| publishDate | 2025 |
| record_format | arxiv |
| spellingShingle | Exchange interaction in ACu3Fe2Re2O12 quadruple perovskites Temnikov, Fedor Ushakov, Alexey V. Komleva, Evgenia V. Liu, Zhehong Long, Youwen Irkhin, Valentin Yu. Streltsov, Sergey V. Materials Science Quadruple perovskites ACu$_3$Fe$_2$Re$_2$O$_{12}$ attract considerable interest due to their high Curie temperatures (up to $710$K), which strongly depend on the A-site cation. In this work, we employ first-principles calculations to investigate their electronic structure and magnetic exchange interactions. A band mechanism of magnetism that explains the antiferromagnetic character of the exchange interactions and their strong dependence on the filling of the Re $t_{2g}$ states is proposed. These antiferromagnetic interactions stabilize ferrimagnetic ground state. The calculated Curie temperatures, obtained within the Onsager reaction field theory, are in a good agreement with experimental data. |
| title | Exchange interaction in ACu3Fe2Re2O12 quadruple perovskites |
| topic | Materials Science |
| url | https://arxiv.org/abs/2512.06842 |