Band Structure of Graphite

Key Points

• To calculate and characterize the electronic band structure of graphite across two-dimensional and three-dimensional lattice configurations.
• Applied tight-binding calculations to a two-dimensional model of the graphite lattice.
• Conducted perturbation calculations using wave functions derived from the two-dimensional lattice to evaluate the three-dimensional lattice structure.
• Identified a point of contact between the valence and conduction bands at the corner of the reduced Brillouin zone in the two-dimensional model.
• Derived the structural features and parameterized representations of the π bands near the zone edge for three-dimensional graphite.