WEKO3
インデックスリンク
アイテム
Magnetism in graphene nanoribbons on Ni(111): First-principles density functional study
https://doi.org/10.24517/00010314
https://doi.org/10.24517/00010314c559ee45-8dad-493b-a7b9-0f70f026dc28
| 名前 / ファイル | ライセンス | アクション |
|---|---|---|
SC-PR-SAITO-M-245624.pdf (378.7 kB)
|
.png)
|
| Item type | 学術雑誌論文 / Journal Article(1) | |||||||||
|---|---|---|---|---|---|---|---|---|---|---|
| 公開日 | 2017-10-03 | |||||||||
| タイトル | ||||||||||
| タイトル | Magnetism in graphene nanoribbons on Ni(111): First-principles density functional study | |||||||||
| 言語 | ||||||||||
| 言語 | eng | |||||||||
| 資源タイプ | ||||||||||
| 資源タイプ識別子 | http://purl.org/coar/resource_type/c_6501 | |||||||||
| 資源タイプ | journal article | |||||||||
| ID登録 | ||||||||||
| ID登録 | 10.24517/00010314 | |||||||||
| ID登録タイプ | JaLC | |||||||||
| 著者 |
Sawada, K.
× Sawada, K.× Ishii, Fumiyuki× Saito, Mineo |
|||||||||
| 著者別表示 |
石井, 史之
× 石井, 史之
× 斎藤, 峰雄
|
|||||||||
| 提供者所属 | ||||||||||
| 内容記述タイプ | Other | |||||||||
| 内容記述 | 金沢大学ナノマテリアル研究所 / 金沢大学理工研究域数物科学系 | |||||||||
| 書誌情報 |
Physical Review B - Condensed Matter and Materials Physics 巻 82, 号 24, p. 245426, 発行日 2010-01-01 |
|||||||||
| ISSN | ||||||||||
| 収録物識別子タイプ | ISSN | |||||||||
| 収録物識別子 | 1098-0121 | |||||||||
| NCID | ||||||||||
| 収録物識別子タイプ | NCID | |||||||||
| 収録物識別子 | AA11187113 | |||||||||
| DOI | ||||||||||
| 関連タイプ | isIdenticalTo | |||||||||
| 識別子タイプ | DOI | |||||||||
| 関連識別子 | 10.1103/PhysRevB.82.245426 | |||||||||
| 出版者 | ||||||||||
| 出版者 | American Physical Society | |||||||||
| 抄録 | ||||||||||
| 内容記述タイプ | Abstract | |||||||||
| 内容記述 | We study magnetism of zigzag graphene nanoribbons (ZGNRs) whose ribbon widths are 1.8-2.2 nm by performing first-principles density functional theory calculations. In contrast with freestanding ZGNRs, ZGNRs directly adsorbed on Ni(111) do not show flat-band magnetism due to strong orbital hybridization between edge-localized Cp orbitals and Nid orbitals. The flat-band magnetism of the ZGNR is recovered by introduction of a graphene sheet between the ZGNR and Ni(111) as a buffer layer which weakened the orbital hybridization. In this case, a parallel configuration of spin moments at the two edges has lower energy than the antiparallel spin configuration whereas the magnetic ground state of the freestanding ZGNR has an antiparallel spin configuration. We explore the effects of orbital hybridization and charge transfer on the magnetic stability of ZGNRs on graphene/Ni(111). © 2010 The American Physical Society. | |||||||||
| 著者版フラグ | ||||||||||
| 出版タイプ | VoR | |||||||||
| 出版タイプResource | http://purl.org/coar/version/c_970fb48d4fbd8a85 | |||||||||
