Low-energy electronic and optical properties of ABC-stacked graphite are respectively studied by the tight-binding model and gradient approximation. The band structures include linear and parabolic bands with and without degeneracy. They show strongly anisotropic dispersions. ABC-stacked graphite is a semimetal due to the slight overlap near the Fermi level between the conduction and valence bands. The interlayer interactions change the energy dispersion, state degeneracy, and the positions of band-crossings and band-edge states. When the state energy is higher than the degenerate energy of the conduction band (Ec2d) or lower than that of the valence bands (Ev2d), a greater number of states might exist. The special band structures would be reflected in the density of states (DOS), the joint density of states (JDOS), and the absorption spectra (A(ω)). For example, the DOS exhibits a cave-like structure at ω = Ec2d and Ev2d. Both a special jump in the JDOS and a turning point in the A(ω) occur at ω = Ec2d - Ev2d. The DOS and A(ω) could be respectively verified by scanning tunneling spectroscopy and optical absorption spectroscopy.
All Science Journal Classification (ASJC) codes
- Physics and Astronomy(all)
- Physical and Theoretical Chemistry