Spin interactions in decorated graphene nanoflakes with two localized spin-1/2 entities
Magnetic properties of graphene nanoflakes with designed edge shapes are theoretically analyzed by means of the first-principles calculation. As a starting point, we take a nanoflake with decorated zigzag edges where no magnetism is expected. Then, it is shown that removal of one decoration unit ind...
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Elsevier
2025-06-01
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| Series: | Materials Today Quantum |
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| Online Access: | http://www.sciencedirect.com/science/article/pii/S2950257825000198 |
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| author | Toshikaze Kariyado |
| author_facet | Toshikaze Kariyado |
| author_sort | Toshikaze Kariyado |
| collection | DOAJ |
| description | Magnetic properties of graphene nanoflakes with designed edge shapes are theoretically analyzed by means of the first-principles calculation. As a starting point, we take a nanoflake with decorated zigzag edges where no magnetism is expected. Then, it is shown that removal of one decoration unit induces a well-defined localized spin-1/2 state. When two decoration units are removed, there arise two localized spin-1/2 states. Notably, when two spins are aligned in the same edge, the spin–spin interaction is ferromagnetic, while when two spins are aligned in the opposite edges, the spin–spin interaction is antiferromagnetic. This suggests that decorated nanoflakes form a promising playground for nanoscale spin devices with tunable spin–spin interactions by designing edge shapes. |
| format | Article |
| id | doaj-art-d7a572c9d09a47b1b38d992471cd7aef |
| institution | Kabale University |
| issn | 2950-2578 |
| language | English |
| publishDate | 2025-06-01 |
| publisher | Elsevier |
| record_format | Article |
| series | Materials Today Quantum |
| spelling | doaj-art-d7a572c9d09a47b1b38d992471cd7aef2025-08-20T03:49:33ZengElsevierMaterials Today Quantum2950-25782025-06-01610004110.1016/j.mtquan.2025.100041Spin interactions in decorated graphene nanoflakes with two localized spin-1/2 entitiesToshikaze Kariyado0Research Center for Materials Nanoarchitectonics, National Institute for Materials Science, 1-1 Namiki, Tsukuba, 305-0044, Ibaraki, JapanMagnetic properties of graphene nanoflakes with designed edge shapes are theoretically analyzed by means of the first-principles calculation. As a starting point, we take a nanoflake with decorated zigzag edges where no magnetism is expected. Then, it is shown that removal of one decoration unit induces a well-defined localized spin-1/2 state. When two decoration units are removed, there arise two localized spin-1/2 states. Notably, when two spins are aligned in the same edge, the spin–spin interaction is ferromagnetic, while when two spins are aligned in the opposite edges, the spin–spin interaction is antiferromagnetic. This suggests that decorated nanoflakes form a promising playground for nanoscale spin devices with tunable spin–spin interactions by designing edge shapes.http://www.sciencedirect.com/science/article/pii/S2950257825000198Graphene, Nanoflake, Quantum spin, First-principles calculation |
| spellingShingle | Toshikaze Kariyado Spin interactions in decorated graphene nanoflakes with two localized spin-1/2 entities Materials Today Quantum Graphene, Nanoflake, Quantum spin, First-principles calculation |
| title | Spin interactions in decorated graphene nanoflakes with two localized spin-1/2 entities |
| title_full | Spin interactions in decorated graphene nanoflakes with two localized spin-1/2 entities |
| title_fullStr | Spin interactions in decorated graphene nanoflakes with two localized spin-1/2 entities |
| title_full_unstemmed | Spin interactions in decorated graphene nanoflakes with two localized spin-1/2 entities |
| title_short | Spin interactions in decorated graphene nanoflakes with two localized spin-1/2 entities |
| title_sort | spin interactions in decorated graphene nanoflakes with two localized spin 1 2 entities |
| topic | Graphene, Nanoflake, Quantum spin, First-principles calculation |
| url | http://www.sciencedirect.com/science/article/pii/S2950257825000198 |
| work_keys_str_mv | AT toshikazekariyado spininteractionsindecoratedgraphenenanoflakeswithtwolocalizedspin12entities |