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

Published online by Cambridge University Press:  15 February 2011

M. Posternak ,
A. Baldereschi ,
A.J. Freeman ,
E. Wimmer  and
M. Weinert
M. Posternak
Affiliation:
Institut de Physique Appliquée, EPFL, CH-1015 Lausanne, Switzerland
A. Baldereschi
Affiliation:
Institut de Physique Appliquée, EPFL, CH-1015 Lausanne, Switzerland, and Istituto di Fisica Teorica, Università di Trieste, Trieste, Italy
A.J. Freeman
Affiliation:
Department of Physics, Northwestern University, Evanston, Illinois 60201, USA
E. Wimmer
Affiliation:
Department of Physics, Northwestern University, Evanston, Illinois 60201, USA
M. Weinert
Affiliation:
Department of Physics, Northwestern University, Evanston, Illinois 60201, USA
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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.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 20: Symposium H – Intercalated Graphite , 1982 , 117
Copyright
Copyright © Materials Research Society 1983

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References

REFERENCES

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