Graphendofullerene: a novel molecular two-dimensional ferromagnet
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arXiv
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| Autori principali: | , , |
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| Natura: | Preprint |
| Pubblicazione: |
2024
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| _version_ | 1866915212677873664 |
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| author | López-Alcalá, Diego Hu, Ziqi Baldoví, José J. |
| author_facet | López-Alcalá, Diego Hu, Ziqi Baldoví, José J. |
| contents | Carbon chemistry has attracted a lot of attention by chemists, physicists and material scientists in the last decades. The recent discovery of graphullerene provides a promising platform for many applications due to its exceptional electronic properties and the possibility to host molecules or clusters inside the fullerene units. Herein, we introduce graphendofullerene, a novel molecular-based two-dimensional (2D) magnetic material formed by trimetallic nitrides clusters encapsulated on graphullerene. Through first-principles calculations, we demonstrate the successful incorporation of the molecules into the 2D network formed by C$_{80}$ fullerenes, which leads to a robust long-range ferromagnetic order with a Curie temperature (Tc) of 38 K. Additionally, we achieve a 45% increase in Tc by strain engineering. These findings open the way for a new family of molecular 2D magnets based on graphendofullerene for advanced technologies. |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_2410_13550 |
| institution | arXiv |
| publishDate | 2024 |
| record_format | arxiv |
| spellingShingle | Graphendofullerene: a novel molecular two-dimensional ferromagnet López-Alcalá, Diego Hu, Ziqi Baldoví, José J. Materials Science Mesoscale and Nanoscale Physics Carbon chemistry has attracted a lot of attention by chemists, physicists and material scientists in the last decades. The recent discovery of graphullerene provides a promising platform for many applications due to its exceptional electronic properties and the possibility to host molecules or clusters inside the fullerene units. Herein, we introduce graphendofullerene, a novel molecular-based two-dimensional (2D) magnetic material formed by trimetallic nitrides clusters encapsulated on graphullerene. Through first-principles calculations, we demonstrate the successful incorporation of the molecules into the 2D network formed by C$_{80}$ fullerenes, which leads to a robust long-range ferromagnetic order with a Curie temperature (Tc) of 38 K. Additionally, we achieve a 45% increase in Tc by strain engineering. These findings open the way for a new family of molecular 2D magnets based on graphendofullerene for advanced technologies. |
| title | Graphendofullerene: a novel molecular two-dimensional ferromagnet |
| topic | Materials Science Mesoscale and Nanoscale Physics |
| url | https://arxiv.org/abs/2410.13550 |