Tight-binding energy dispersions of armchair-edge graphene nanostrips

Abstract

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 p and effective mass expressions of the dispersion relations are also presented. Finally, the electron-phonon coupling constant is estimated to be 40 eV nm. © 2008 The American Physical Society.