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Research Article | Open Access

Strain Effects in Graphene and Graphene Nanoribbons: The Underlying Mechanism

Yang Li1,2, Xiaowei Jiang1,2, Zhongfan Liu1, Zhirong Liu1( )
College of Chemistry and Molecular Engineering, State Key Laboratory for Structural Chemistry of Unstable and Stable Species, and Beijing National Laboratory for Molecular Sciences Peking UniversityBeijing 100871 China
School of Physics Peking UniversityBeijing 100871 China
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Abstract

A tight-binding analytic framework is combined with first-principles calculations to reveal the mechanism underlying the strain effects on electronic structures of graphene and graphene nanoribbons (GNRs). It provides a unified and precise formulation of the strain effects under various circumstances—including the shift of the Fermi (Dirac) points, the change in band gap of armchair GNRs with uniaxial strain in a zigzag pattern and its insensitivity to shear strain, and the variation of the k-range of edge states in zigzag GNRs under uniaxial and shear strains which determine the gap behavior via the spin polarization interaction.

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Keywords

Graphenegraphene nanoribbons (GNRs)band gapstrainfirst-principles calculationstight-binding model

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Nano Research
Volume 3 Issue 8,
August 2010
Pages 545-556
DOI: 10.1007/s12274-010-0015-7

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Cite this article:
Li Y, Jiang X, Liu Z, et al. Strain Effects in Graphene and Graphene Nanoribbons: The Underlying Mechanism. Nano Research, 2010, 3(8): 545-556. https://doi.org/10.1007/s12274-010-0015-7

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Received: 18 May 2010
Revised: 09 June 2010
Accepted: 11 June 2010
Published: 26 July 2010
© The Author(s) 2010

This article is distributed under the terms of the Creative Commons Attribution Noncommercial License which permits any noncommercial use, distribution, and reproduction in any medium, provided the original author(s) and source are credited.