Numerical studies of discrete quasibreathers in graphene in the framework of density functional theory

摘要

Discrete breathers in graphene are studied by means of ab initio calculations using methods of density functional theory. It is shown that in the graphene under uniaxial strain applied in "zigzag" direction discrete breathers exist with frequencies inside the gap of phonon spectrum of the system. Breathers have been observed polarized along the "armchair" direction of graphene. The frequency on the amplitude dependency of studied dynamical objects corresponds to the soft type of nonlinearity.