説明:
(abstract)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.
権利情報:
キーワード: graphene, nanoflake, magnetism
刊行年月日: 2025-05-05
出版者: Elsevier BV
掲載誌:
研究助成金:
原稿種別: 出版者版 (Version of record)
MDR DOI:
公開URL: https://doi.org/10.1016/j.mtquan.2025.100041
関連資料:
その他の識別子:
連絡先:
更新時刻: 2025-06-02 18:03:07 +0900
MDRでの公開時刻: 2025-12-22 12:21:51 +0900
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