Geometric and Electronic Structures of V and Cr Clusters

Ryuichi KONDO; Rika SEKINE; Jun ONOE; Hirohide NAKAMATSU

doi:10.1380/jsssj.21.462

Hyomen Kagaku

Online ISSN : 1881-4743
Print ISSN : 0388-5321
ISSN-L : 0388-5321

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Geometric and Electronic Structures of V and Cr Clusters

Ryuichi KONDO, Rika SEKINE, Jun ONOE, Hirohide NAKAMATSU

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JOURNAL FREE ACCESS

2000 Volume 21 Issue 8 Pages 462-467

DOI https://doi.org/10.1380/jsssj.21.462

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Abstract

Geometric and electronic structures of both neutral and anionic clusters, (V_n and Cr_n, n = 2∼8) have been studied using a density-functional method. The most stable structures of these clusters up to octamers were newly determined or reexamined. The calculated electron affinity (EA) of V₃∼V₇ clusters was in good agreement with their experimental values. The average spin magnetic moment for the Cr cluster showed odd-even alternation behavior, which is consistent with antiferromagnetic character of the bulk.

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この記事はクリエイティブ・コモンズ [表示 - 非営利 4.0 国際]ライセンスの下に提供されています。
https://creativecommons.org/licenses/by-nc/4.0/deed.ja

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