Free-Electron Interlayer States in Pure and Li-Intercalated Graphite

Abstract

First-principle SCF-FLAPW calculations prove the existence in graphite of a new kind of electron states. They are interlayer states, resulting from the bonding combination of states bound to single graphite layers, and give rise to a still undetected energy band just above the Fermi energy. This band also occurs at slightly lower energy in Li intercalated graphite, and has been incorrectly interpreted as arising mainly from Li 2s orbitals.

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Correspondence to M. Posternak.

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Posternak, M., Baldereschi, A., Freeman, A.J. et al. Free-Electron Interlayer States in Pure and Li-Intercalated Graphite. MRS Online Proceedings Library 20, 117 (1982). https://doi.org/10.1557/PROC-20-117

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