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Deformation and transfer doping of a single-walled carbon nanotube adsorbed on metallic substrates
https://iwate-u.repo.nii.ac.jp/records/10021
https://iwate-u.repo.nii.ac.jp/records/10021bb11985c-6f0b-4a35-af6e-67c9bd04049e
| 名前 / ファイル | ライセンス | アクション |
|---|---|---|
prb-v81i12p125414.pdf (912.1 kB)
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| Item type | 学術雑誌論文 / Journal Article(1) | |||||||||
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| 公開日 | 2010-10-29 | |||||||||
| タイトル | ||||||||||
| タイトル | Deformation and transfer doping of a single-walled carbon nanotube adsorbed on metallic substrates | |||||||||
| 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 | |||||||||
| 著者 |
Nishidate, Kazume
× Nishidate, Kazume
× Hasegawa, Masayuki
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| 著者(機関) | ||||||||||
| 値 | Department of Electrical Engineering and Information Science, Iwate University | |||||||||
| 著者(機関) | ||||||||||
| 値 | Faculty of Engineering, Iwate University | |||||||||
| 登録日 | ||||||||||
| 日付 | 2010-10-29 | |||||||||
| 書誌情報 |
Physical Review B 巻 81, 号 12, p. 125414-1-125414-12, 発行日 2010-03-15 |
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| ISSN | ||||||||||
| 収録物識別子タイプ | ISSN | |||||||||
| 収録物識別子 | 1098-0121 | |||||||||
| Abstract | ||||||||||
| 内容記述タイプ | Other | |||||||||
| 内容記述 | We have examined the effects of radial deformation and transfer doping on the electronic properties of an armchair single-walled carbon nanotube (SWNT) adsorbed on the gold (Au) and silver (Ag) surfaces. Using a semiempirical method developed on the basis of the continuum elastic shell model, it is found that the radial deformation of SWNTs with D<21 Å, where D is nanotube diameter, is reversible in the whole range of radial deformation. Whereas, large deformations of SWNTs with D>21 Å tend to be irreversible and a collapsed nanotube can be stabilized. We have chosen the metallic armchair (21,21) SWNT with D≈28.5 Å and confirmed by ab initio calculations that large deformation of this nanotube can actually be stabilized and the collapsed tube is a semiconductor with small band gap of ∼60 meV. The charge transfers of this nanotube, both circular and collapsed, adsorbed on the Au(100) and Ag(100) were investigated by large-scale ab initio calculations and a phenomenological model, which was developed on the basis of the rigid-band model. The model yields the Fermi-level shift of the nanotube adsorbed on the Au(100) surface in good agreement with the experiments and provides a useful insight into the transfer doping. On the other hand, the transfer doping virtually does not occur for the nanotube adsorbed on the Ag surface, not in agreement with the experiments with large uncertainty. The phenomenological model is also applied to the graphene adsorption on the metallic surfaces and is found to yield reasonable results for the transfer doping and to be useful in understanding the previous results, both experimental and theoretical. | |||||||||
| 出版者 | ||||||||||
| 出版者 | American Physical Society | |||||||||
| 権利 | ||||||||||
| 権利情報 | © 2010 The American Physical Society | |||||||||
| DOI | ||||||||||
| 関連タイプ | isIdenticalTo | |||||||||
| 識別子タイプ | DOI | |||||||||
| 関連識別子 | 10.1103/PhysRevB.81.125414 | |||||||||
| 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 | |||||||||
