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.
This is a preview of subscription content, access via your institution.
Buy single article
Instant access to the full article PDF.
Tax calculation will be finalised during checkout.
P. Pfluger and H. J. Güntherodt in: Festkörperprobleme XXI, J. Treusch ed. (Vieweg, Braunschweig 1981) pp 271–311; and references therein.
R. C. Tatar and S. Rabii, Phys. Rev. B 25, 4126 (1982).
N. A. W. Holzwarth, S. Rabii and L. A. Girifalco, Phys. Rev. B 18, 5190 (1978); N. A. W. Holzwarth, S. G. Louie, and S. Rabii, Phys. Rev. Lett. 47, 1318 (1981).
E. Wimmer, H. Krakauer, M. Weinert and A. J. Freeman, Phys. Rev. B 24, 864 (1981).
L. Samuelson and I. P. Batra, J. Phys. C 13, 5105 (1980).
M. Posternak, A. Baldereschi, A. J. Freeman, E. Wimmer and M. Weinert, unpublished.
About this article
Cite this article
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