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Cluster study of Al–Co–Ni decagonal quasicrystal
http://hdl.handle.net/2237/20859
http://hdl.handle.net/2237/20859f19f2253-ff8d-4ba0-82fa-9c21be3fcd26
名前 / ファイル | ライセンス | アクション |
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ICQ10paperInukaiRevised.pdf (403.9 kB)
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Item type | 学術雑誌論文 / Journal Article(1) | |||||
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公開日 | 2014-11-25 | |||||
タイトル | ||||||
タイトル | Cluster study of Al–Co–Ni decagonal quasicrystal | |||||
言語 | en | |||||
著者 |
Inukai, Manabu
× Inukai, Manabu× Soda, Kazuo× Kato, Masahiko× Yagi, Shinya× Yokoyama, Yoshihiko |
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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 | |||||
キーワード | ||||||
主題Scheme | Other | |||||
主題 | Decagonal quasicrystal | |||||
キーワード | ||||||
主題Scheme | Other | |||||
主題 | Cluster modelling | |||||
キーワード | ||||||
主題Scheme | Other | |||||
主題 | Electronic structure | |||||
抄録 | ||||||
内容記述 | The electronic structure and atomic arrangement of a decagonal Al–Co–Ni quasicrystal have been investigated in terms of a model unit cluster by using a discrete variational Xα (DV-Xα) cluster calculation. The partial electronic density of states (DOS) and overlap population analysis for local clusters around the constituent transition-metals (TM´s) show the energy reduction of both the Co and Ni 3d states but the increase in the anti-bonding character for their TM-Al bonds at the second inner ring TM site of the model cluster in comparison to the most inner ring TM site. Comparing the calculated DOS with the observed valence-band photoelectron and TM Lα X-ray emission spectra, we discuss the occupation at the transition metal sites by Co and Ni. | |||||
言語 | en | |||||
内容記述タイプ | Abstract | |||||
出版者 | ||||||
言語 | en | |||||
出版者 | Walter de Gruyter | |||||
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 | AM | |||||
出版タイプResource | http://purl.org/coar/version/c_ab4af688f83e57aa | |||||
DOI | ||||||
関連タイプ | isVersionOf | |||||
識別子タイプ | DOI | |||||
関連識別子 | https://doi.org/10.1524/zkri.2008.1062 | |||||
ISSN | ||||||
収録物識別子タイプ | PISSN | |||||
収録物識別子 | 0044-2968 | |||||
書誌情報 |
en : Zeitschrift für Kristallographie International journal for structural, physical, and chemical aspects of crystalline materials 巻 223, 号 11-12, p. 851-854, 発行日 2008-12 |
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著者版フラグ | ||||||
値 | author | |||||
URI | ||||||
識別子 | http://dx.doi.org/10.1524/zkri.2008.1062 | |||||
識別子タイプ | DOI | |||||
URI | ||||||
識別子 | http://hdl.handle.net/2237/20859 | |||||
識別子タイプ | HDL |