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

Kazunari Yoshizawa, Takashi Kato, Tokio Yamabe

Research output: Contribution to journalArticle

7 Citations (Scopus)

Abstract

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.

Original languageEnglish
Pages (from-to)2087-2095
Number of pages9
JournalBulletin of the Chemical Society of Japan
Volume71
Issue number9
DOIs
Publication statusPublished - Sep 1998
Externally publishedYes

All Science Journal Classification (ASJC) codes

  • Chemistry(all)

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