Tight-binding energy dispersions of armchair-edge graphene nanostrips

A tight-binding model of hydrogen-terminated armchair-edge graphene nanostrips is presented, which includes up to third-nearest-neighbor carbon-carbon interactions and edge distortion. The model reproduces the band gaps found in first-principles local-density-functional calculations well. The model also leads to energy dispersion relations in excellent agreement with first-principles results in the vicinity of the Fermi level. Approximate analytical (k) over right arrow.(p) over right arrow and effective mass expressions of the dispersion relations are also presented. Finally, the electron-phonon coupling constant is estimated to be 40 eV/nm.