Strain Effect on the Electronic Properties of Single Layer and Bilayer Graphene

 作 者

 摘 要

This paper investigates strain effects on the electronic properties of single-layer and bilayer graphene using a first-principles method. The deformation significantly alters energy dispersion, band overlap, band gap, and the band edges of graphenes. Fermi velocity behaves both linearly and nonlinearly with the strains, depending on the types of deformation and the direction of the Fermi velocity. In bilayer graphene, the uniaxial strain enhances the band overlap by 2 orders of magnitude. A semimetal–insulator transition occurs when bilayer graphene is under a compressive uniaxial strain along the zigzag chain direction. These strain-dependent results are useful for acquiring the intralayer and interlayer atomic relations or Slonczewski–Weiss–McClure parameters. The intralayer coupling γ₀ under the H-strain and interlayer couplings γ₁, γ₃, and γ₄ under the P-strain decrease dramatically as the strain increases. Nevertheless, interlayer couplings vary more slowly with the H-strain than the P-strain.

 详细资料

• 文献种类: Journal Article
• 期刊名称: The Journal of Physical Chemistry C
• 期刊缩写: J. Phys. Chem. C
• 期卷页: 2012年  第116卷 第14期 8271-8277页
• ISBN: 1932-7447

学科领域 工程技术 » 材料科学

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