Gap opening in graphene by simple periodic inhomogeneous strain

Abstract

Using ab-initio methods, we show that the uniform deformation either leaves graphene (semi)metallic or opens up a small gap yet only beyond the mechanical breaking point of the graphene, contrary to claims in the literature based on tight-binding (TB) calculations. It is possible, however, to open up a global gap by a sine-like one-dimensional inhomogeneous deformation applied along any direction but the armchair one, with the largest gap for the corrugation along the zigzag direction (~0.5 eV) without any electrostatic gating. The gap opening has a threshold character with very sharp rise when the ratio of the amplitude A and the period of the sine wave deformation lambda exceeds (A/lambda)_c ~0.1 and the inversion symmetry is preserved, while it is threshold-less when the symmetry is broken, in contrast with TB-derived pseudo-magnetic field models.

6 pages, 6 figures; (v2) added figures illustrating opening gap in Graphene mesh on BN, expanded analysis illustrating absence of pseudo-magnetic fields in deformed Graphene

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• Sublattice asymmetry of impurity doping in graphene: A review
• Phase-space representation of Landau and electron coherent states for uniaxially strained graphene
• Large-scale transfer and characterization of macroscopic periodically nano-rippled graphene
• Strain- and Adsorption-Dependent Electronic States and Transport or Localization in Graphene
• Characterization of electronic structure of periodically strained graphene
• Anomalous Floquet tunneling in uniaxially strained graphene
• Ab initio framework for systems with helical symmetry: theory, numerical implementation and applications to torsional deformations in nanostructures
• Shear-Strain Controlled High-Harmonic Generation in Graphene
• Impact of the domain structure in ferroelectric substrate on graphene conductance (authors' review)
• First-principles calculations of electrical conductivities of edge-modified graphene nanoribbons: strain effect
• Linking structures of doubly charged nodal surfaces in centrosymmetric superconductors
• Analytical calculation of electron's group velocity surfaces in uniform strained graphene
• Quantum materials interfaces: graphene/Bismuth (111) heterostructures
• Graphene separation and stretching induced by piezoelectric effect of ferroelectric domains: impact on the conductance of graphene channel