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

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 AA- and AB-stacked bulk graphite. [S0163-1829(99)14615-0].