Ab initio determination of the phonon deformation potentials of graphene -: art. no. 073403

We calculated with ab initio methods the in-plane phonon deformation potentials of a graphite sheet. The two-dimensional Gruneisen parameter is found to be gamma = 2.0 and the shear potential (SDP) = 0.66. The two values agree well with experimental results on graphite and on carbon nanotubes.