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Strained graphene: tight-binding and density functional calculations
2009
New Journal of Physics
We determine the band structure of graphene under strain using density functional calculations. The ab-initio band strucure is then used to extract the best fit to the tight-binding hopping parameters used in a recent microscopic model of strained graphene. It is found that the hopping parameters may increase or decrease upon increasing strain, depending on the orientation of the applied stress. The fitted values are compared with an available parametrization for the dependence of the orbital
doi:10.1088/1367-2630/11/11/115002
fatcat:qyzg2y7fbvcqfgez22zbaxx4si