Lenosky's energy and the phonon dispersion of graphene

Details Lenosky's energy and the phonon dispersion of graphene Lenosky's energy and the phonon dispersion of graphene

2009-06-09

arxiv.org/abs/0906.1826v2

Phys. Rev. B 80, 035401 (2009)

Physics

Condensed Matter

Materials Science

References added. Final version

Scientific paper

10.1103/PhysRevB.80.035401

We calculate the phonon spectrum for a graphene sheet resulting from the model proposed by T. Lenosky et al. (Nature 355, 333 (1992)) for the free energy of the lattice. This model takes into account not only the usual bond bending and stretching terms, but captures the possible misalignment of the pz orbitals. We compare our results with previous models used in the literature and with available experimental data. We show that while this model provides an excellent description of the flexural modes in graphene, an extra term in the energy is needed for it to be able to reproduce the full phonon dispersion correctly beyond the Gamma point.

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