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APS » Journals » Phys. Rev. B » Volume 46 » Issue 11
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Phys. Rev. B 46, 7185–7188 (1992)

Energetics of interplanar binding in graphite

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Matthias C. Schabel and José Luís Martins
Department of Chemical Engineering and Materials Science, University of Minnesota, Minneapolis, Minnesota 55455
Minnesota Supercomputer Institute, University of Minnesota, Minneapolis, Minnesota 55455

Received 18 February 1992; published in the issue dated 15 September 1992

Results of an ab initio density-functional study of interlayer binding in graphite are presented. We obtain good agreement with experimental results for the equilibrium c-axis lattice parameter, exfoliation energy, and uniaxial compressibility for this highly anisotropic material. We also present the calculated band structure of graphite.

© 1992 The American Physical Society

URL:
http://link.aps.org/doi/10.1103/PhysRevB.46.7185
DOI:
10.1103/PhysRevB.46.7185
PACS:
61.50.Lt, 62.20.Dc, 68.65.+g, 71.25.Pi
 
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