Second-Order Perturbational Effect on the Interlayer Interactions in Graphite and Graphite Intercalation Compounds

Kazunari Yoshizawa, Takashi Kato, Tokio Yamabe

研究成果: ジャーナルへの寄稿記事

7 引用 (Scopus)

抄録

The role of second-order perturbations in interlayer interactions of two-dimensional electronic systems is examined from simple two-layer models. The preferred nuclear motions are discussed specifically for the preferred stacking of layers in graphite on the basis of transition-density analyses for extended systems. The well-known ABAB stacking of layers in neutral graphite and the AAAA stacking of layers in graphite intercalation compounds (GICs) such as C6Li and C8K complexes are proposed to be consequences of orbital interactions (near the Fermi level) between nearest neighbor layers. This paper raises doubts about a widely accepted belief that the interlayer interaction between graphite layers is of the van der Waals type.

元の言語英語
ページ(範囲)2087-2095
ページ数9
ジャーナルBulletin of the Chemical Society of Japan
71
発行部数9
DOI
出版物ステータス出版済み - 1 1 1998
外部発表Yes

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Intercalation compounds
Graphite
Fermi level

All Science Journal Classification (ASJC) codes

  • Chemistry(all)

これを引用

Second-Order Perturbational Effect on the Interlayer Interactions in Graphite and Graphite Intercalation Compounds. / Yoshizawa, Kazunari; Kato, Takashi; Yamabe, Tokio.

:: Bulletin of the Chemical Society of Japan, 巻 71, 番号 9, 01.01.1998, p. 2087-2095.

研究成果: ジャーナルへの寄稿記事

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