Prediction of Electronic Interlayer States in Graphite and Reinterpretation of Alkali Bands in Graphite Intercalation Compounds

作者：M. Posternak, A. Baldereschi, A. J. Freeman, E. Wimmer, M. Weinert · 发表于：Physical Review Letters · 年份：1983 · DOI：10.1103/physrevlett.50.761 · 被引用次数：347 · 研究领域：Graphene research and applications、Advancements in Battery Materials、Graphite, nuclear technology, radiation studies

The existence of a new kind of electron state in graphite and in alkali graphite intercalation compounds is predicted with use of self-consistent local-density all-electron theory. These interlayer states, which exhibit free-electron character parallel to the layers, form a band close to the Fermi energy and provide for alkali graphite intercalation compounds a new understanding of the origin of bands previously interpreted incorrectly as arising from alkali $s$ electrons.