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Phys. Rev. B 75, 165414 (2007) [6 pages]

Analytical study of electronic structure in armchair graphene nanoribbons

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Huaixiu Zheng1, Z. F. Wang2, Tao Luo2, Q. W. Shi2,*, and Jie Chen1,†
1Electrical and Computer Engineering, University of Alberta, Canada AB T6G 2V4
2Hefei National Laboratory for Physical Sciences at Microscale, University of Science and Technology of China, Hefei, Anhui 230026, People’s Republic of China

Received 19 December 2006; revised 18 March 2007; published 20 April 2007

We present the analytical solution of the wave function and energy dispersion of armchair graphene nanoribbons (GNRs) based on the tight-binding approximation. By imposing the hard-wall boundary condition, we find that the wave vector in the confined direction is discretized. This discrete wave vector serves as the index of different subbands. Our analytical solutions of wave function and associated energy dispersion reproduce the results of numerical tight-binding and the solutions based on the kp approximation. In addition, we also find that all armchair GNRs with edge deformation have energy gaps, which agrees with recently reported first-principles calculations.

© 2007 The American Physical Society

URL:
http://link.aps.org/doi/10.1103/PhysRevB.75.165414
DOI:
10.1103/PhysRevB.75.165414
PACS:
73.61.Wp, 73.20.At

*Corresponding author. Email address: phsqw@ustc.edu.cn

Corresponding author. Email address: jchen@ece.ualberta.ca