Analytical Study of Electronic Structure in Armchair Graphene Nanoribbons

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 serv...

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Bibliographic Details
Published inarXiv.org
Main Authors Zheng, Huaixiu, Wang, Zhengfei, Luo, Tao, Shi, Qinwei, Chen, Jie
Format Paper
LanguageEnglish
Published Ithaca Cornell University Library, arXiv.org 16.12.2006
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Summary: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.
ISSN:2331-8422
DOI:10.48550/arxiv.0612378