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First-principles calculations of Cu adsorption on an H-terminated Si surface
http://hdl.handle.net/2237/11269
http://hdl.handle.net/2237/11269e9be2f70-98b0-4f13-afb4-2d58e4ff4f42
名前 / ファイル | ライセンス | アクション |
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Item type | 学術雑誌論文 / Journal Article(1) | |||||
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公開日 | 2009-03-09 | |||||
タイトル | ||||||
タイトル | First-principles calculations of Cu adsorption on an H-terminated Si surface | |||||
言語 | en | |||||
著者 |
Foster, A. S.
× Foster, A. S.× Gosálvez, M. A.× Hynninen, T.× Nieminen, R. M.× Sato, K. |
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アクセス権 | ||||||
アクセス権 | open access | |||||
アクセス権URI | http://purl.org/coar/access_right/c_abf2 | |||||
権利 | ||||||
言語 | en | |||||
権利情報 | Copyright: American Physical Society, All rights reserved. | |||||
キーワード | ||||||
主題Scheme | Other | |||||
主題 | ab initio calculations | |||||
キーワード | ||||||
主題Scheme | Other | |||||
主題 | adsorption, copper | |||||
キーワード | ||||||
主題Scheme | Other | |||||
主題 | elemental semiconductors | |||||
キーワード | ||||||
主題Scheme | Other | |||||
主題 | hydrogen, silicon | |||||
抄録 | ||||||
内容記述 | In this study, we use first-principles simulations to study the adsorption of copper onto H-terminated and partially OH-terminated silicon surfaces. We show that, in contrast to previous studies, copper adsorbs strongly to the H-terminated silicon surface and that the adsorption energy is significantly dependent on the localbonding environment. The addition of a hydroxide group increases the average adsorption energy while reducing the range of adsorption energies due to the strong interaction between copper and oxygen. Our results predict that copper will generally prefer to adsorb at dihydride sites on the surface, agreeing with experimentalstudies of copper nucleation. The adsorption energy hierarchy predicted by the calculations strongly supports the suggestion that copper acts as a micromask in wet chemical etching, blocking reactive sites. | |||||
言語 | en | |||||
内容記述タイプ | Abstract | |||||
出版者 | ||||||
言語 | en | |||||
出版者 | American Physical Society | |||||
言語 | ||||||
言語 | eng | |||||
資源タイプ | ||||||
資源タイプresource | http://purl.org/coar/resource_type/c_6501 | |||||
タイプ | journal article | |||||
出版タイプ | ||||||
出版タイプ | VoR | |||||
出版タイプResource | http://purl.org/coar/version/c_970fb48d4fbd8a85 | |||||
DOI | ||||||
関連タイプ | isVersionOf | |||||
識別子タイプ | DOI | |||||
関連識別子 | https://doi.org/10.1103/PhysRevB.76.075315 | |||||
ISSN | ||||||
収録物識別子タイプ | PISSN | |||||
収録物識別子 | 1098-0121 | |||||
書誌情報 |
en : PHYSICAL REVIEW B 巻 76, 号 7, p. 075315-075315, 発行日 2007-08 |
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フォーマット | ||||||
application/pdf | ||||||
著者版フラグ | ||||||
値 | publisher | |||||
URI | ||||||
識別子 | http://hdl.handle.net/2237/11269 | |||||
識別子タイプ | HDL |