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Density Functional Theory of Interplane Cohesion in Graphite and Graphite Intercalation Compounds

Published online by Cambridge University Press:  15 February 2011

D.P. Divincenzo  and
E.J. Mele
D.P. Divincenzo
Affiliation:
Dept. of Physics, University of Pennsylvania, Philadelphia, PA 19104, USA.
E.J. Mele
Affiliation:
Dept. of Physics, University of Pennsylvania, Philadelphia, PA 19104, USA.
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Abstract

We employ density functional theory to study structural energies in pure graphite, Li-graphite, and K-graphite. Qualitative agreement with experiment is obtained for the carbon plane binding energy, lattice constants, compressibilities, and in-plane alkali-alkali potentials.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 20: Symposium H – Intercalated Graphite , 1982 , 123
Copyright
Copyright © Materials Research Society 1983

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References

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