8 research outputs found
Finite temperature lattice properties of graphene beyond the quasiharmonic approximation
The thermal and mechanical stability of graphene is important for many
potential applications in nanotechnology. We calculate the temperature
dependence of lattice parameter, elastic properties and heat capacity by means
of atomistic Monte Carlo simulations that allow to go beyond the quasiharmonic
approximation. We predict an unusual, non-monotonic, behavior of the lattice
parameter with minimum at temperature about 900 K and of the shear modulus with
maximum at the same temperature. The Poisson ratio in graphene is found to be
small ~0.1 in a broad temperature interval.Comment: 4 pages, 5 figure