期刊
PHYSICAL REVIEW LETTERS
卷 102, 期 4, 页码 -出版社
AMER PHYSICAL SOC
DOI: 10.1103/PhysRevLett.102.046808
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资金
- Nederlandse Organisatie voor Wetenschappelijk Onderzoek (NWO)
The thermal and mechanical stability of graphene is important for many potential applications in nanotechnology. We calculate the temperature dependence of the lattice parameter, elastic properties, and heat capacity by means of atomistic Monte Carlo simulations that allow us to go beyond the quasiharmonic approximation. We predict an unusual, nonmonotonic, behavior of the lattice parameter with a minimum at T approximate to 900 K and of the shear modulus with a maximum at the same temperature. The Poisson ratio in graphene is found to be small approximate to 0.1 in a broad temperature interval.
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