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Geometry and electronic structures of magic transition-metal oxide clusters M9O6 (M=Fe, Co, and Ni)
https://nitech.repo.nii.ac.jp/records/4882
https://nitech.repo.nii.ac.jp/records/4882e98f436c-5d5e-4734-ae53-65c19837964f
名前 / ファイル | ライセンス | アクション |
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本文_fulltext (226.1 kB)
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(c)2000 The American Physical Society
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Item type | 学術雑誌論文 / Journal Article(1) | |||||
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公開日 | 2012-11-06 | |||||
タイトル | ||||||
言語 | en | |||||
タイトル | Geometry and electronic structures of magic transition-metal oxide clusters M9O6 (M=Fe, Co, and Ni) | |||||
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 | |||||
著者 |
Sun, Q.
× Sun, Q.× Sakurai, M.× Wang, Q.× Yu, J. Z.× Wang, G. H.× Sumiyama, Kenji× Kawazoe, Y. |
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著者別名 | ||||||
姓名 | 隅山, 兼治 | |||||
書誌情報 |
PHYSICAL REVIEW B 巻 62, 号 12, p. 8500-8507, 発行日 2000-09-15 |
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出版者 | ||||||
出版者 | American Physical Society | |||||
ISSN | ||||||
収録物識別子タイプ | ISSN | |||||
収録物識別子 | 10980121 | |||||
書誌レコードID(NCID) | ||||||
収録物識別子タイプ | NCID | |||||
収録物識別子 | AA11187113 | |||||
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 | |||||
DOI | ||||||
関連タイプ | isIdenticalTo | |||||
識別子タイプ | DOI | |||||
関連識別子 | http://dx.doi.org/10.1103/PhysRevB.62.8500 | |||||
関連名称 | 10.1103/PhysRevB.62.8500 | |||||
内容記述 | ||||||
内容記述タイプ | Other | |||||
内容記述 | The magic oxide clusters M9O6 (M5Fe, Co, Ni) are found by using reactive laser vaporized cluster source. From the first-principles calculations, the possible equilibrium geometries for these three oxide clusters are determined to be a C2v symmetry, where the skeleton composed of 9 metal atoms also has C2v symmetry, different from the equilibrium structures of pure transition metal cluster M9 . The O atoms are energetically more favorable to cap the triangle surfaces. In Fe9O6 and Co9O6 clusters, oxygen atoms are antiferromagnetically polarized while ferromagnetically polarized in the Ni9O6 cluster, similar to the case of O atoms adsorbed on the reconstructed Ni(110) surface. The magnetic behaviors are explained from electronic structures. | |||||
フォーマット | ||||||
内容記述タイプ | Other | |||||
内容記述 | application/pdf |