Electronic properties of ABC-stacked graphite are studied by the first-principles method. There are linear and parabolic bands with strong anisotropic dispersions; both non-degenerate and degenerate bands are observed. The bandwidths of occupied π and σ bands are 8.41 eV and 16.65 eV, respectively. The low valence and conduction bands only have slight overlapping near the Fermi level, mainly owing to the interlayer atomic interactions. State degeneracy and energy dispersions are strongly affected by such interactions. The band-edge states, with the high density of states, are located near or at the high symmetry points. Some significant differences exist among ABC-, AB-, and AA-stacked graphites in electronic properties.
All Science Journal Classification (ASJC) codes
- 物理與天文學 (全部)