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arxiv: cond-mat/0612378 · v2 · pith:DOZ7ILQWnew · submitted 2006-12-15 · ❄️ cond-mat.mes-hall · cond-mat.mtrl-sci

Analytical Study of Electronic Structure in Armchair Graphene Nanoribbons

classification ❄️ cond-mat.mes-hall cond-mat.mtrl-sci
keywords analyticalarmchairenergyapproximationdispersionfindgnrsgraphene
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We present the analytical solution of the wavefunction and energy dispersion of armchair graphene nanoribbons (GNRs) based on the tight-binding approximation. By imposing hard-wall boundary condition, we find that the wavevector in the confined direction is discretized. This discrete wavevector serves as the index of different subbands. Our analytical solutions of wavefunction and associated energy dispersion reproduce the numerical tight-binding results and the solutions based on the k*p approximation. In addition, we also find that all armchair GNRs with edge deformation have energy gaps, which agrees with recently reported first-principles calculations.

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