Abstract
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.
- Received 18 February 1992
DOI:https://doi.org/10.1103/PhysRevB.46.7185
©1992 American Physical Society
