Tight-binding model for the electronic properties of simple hexagonal graphite

Abstract

The band structure of graphite with the hypothetical simple hexagonal structure has been investigated near the Fermi energy, using a tight-binding approximation. Some general features of the structure of the \ensuremath{\pi} bands in the neighborhood of the zone edge are obtained and are expressed in terms of appropriate parameters. The Fermi surface is analyzed. The density of states and the resulting behavior near the Fermi level are compared to the results obtained for the Bernal structure (Slonczewski-Weiss-McClure model) and for the rhombohedral structure (Haering-McClure model). Possible application to disordered graphite (turbostratic) is also discussed.