First-principles study of edge states of H-terminated graphitic ribbons

Abstract

The existence of the edge states of single-layered H-terminated graphitic ribbons predicted by Nakada et al. [Phys. Rev. B 54, 17 954 (1996)] has been confirmed by first-principles calculations within the framework of the local-density approximation and the pseudopotentials. The edge states in cases of stacked ribbons have also been examined, and it has been found that the existence of the edge states is dependent on the stacking manner. This phenomenon can be understood from the electronic structures of $\mathrm{AA}$- and $\mathrm{AB}$-stacked bulk graphite.