DFT data on the elastic energy of graphene under uniaxial stretching
Description
Calculations of the total energy of a deformed graphene layer were performed using the VASP code. The results can be used to compute the Poisson's ratio and effective Young's modulus of graphene under uniaxial stretching for elongations up to 3%. The data include: (1) energy dependences on strain in the direction perpendicular to the elongation applied in the armchair or zigzag direction, (2) energy dependences on the elongation applied in the armchair and zigzag directions with account of the Poisson's ratio estimated from (1), and (1) input and output files for (2). At step (2) it is assumed that the Poisson's ratio does not change in the intervals of elongations of 0.05% length. The Poisson's ratio at elongations close to 0 is taken the same as at 0.5%.