Research Article

Nano Research

, Volume 3, Issue 8, pp 545-556

Open Access This content is freely available online to anyone, anywhere at any time.

Strain effects in graphene and graphene nanoribbons: The underlying mechanism

  • Yang LiAffiliated withCollege of Chemistry and Molecular Engineering, State Key Laboratory for Structural Chemistry of Unstable and Stable Species, and Beijing National Laboratory for Molecular Sciences, Peking UniversitySchool of Physics, Peking University
  • , Xiaowei JiangAffiliated withCollege of Chemistry and Molecular Engineering, State Key Laboratory for Structural Chemistry of Unstable and Stable Species, and Beijing National Laboratory for Molecular Sciences, Peking UniversitySchool of Physics, Peking University
  • , Zhongfan LiuAffiliated withCollege of Chemistry and Molecular Engineering, State Key Laboratory for Structural Chemistry of Unstable and Stable Species, and Beijing National Laboratory for Molecular Sciences, Peking University
  • , Zhirong LiuAffiliated withCollege of Chemistry and Molecular Engineering, State Key Laboratory for Structural Chemistry of Unstable and Stable Species, and Beijing National Laboratory for Molecular Sciences, Peking University Email author 

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.
http://static-content.springer.com/image/art%3A10.1007%2Fs12274-010-0015-7/MediaObjects/12274_2010_15_Fig1_HTML.gif

Keywords

Graphene graphene nanoribbons (GNRs) band gap strain first-principles calculations tight-binding model