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The introduction of lattice anisotropy causes Dirac cones to shift in response to the applied strain, leaving a pseudogap at the original Dirac points. Here, a group-theory analysis is combined with first-principles calculations to reveal the movement characteristics of Dirac points and band gaps in various graphynes under rotating uniaxial and shear strains. Graphene, where linear effects dominate,...
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...
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