Speaker
Description
We calculated phonon dispersion for graphene with taken into consideration different numbers of nearest neighbors in the Born-von Karman model [1]. Values of force constants were taken from [2-3]. It was shown that quadratic dependence of ZA mode, predicted at [4], depends on set of interatomic force constants and not on number of nearest neighbors, as thought earlier [3]. Our results are in good correspondence with known experimental [5], ab initio [6] and IFC’s models [2-3] and could be used for building vibrational thermodynamic model [7] of graphene lattice.
Fig. 1. Graphene phonon dispersion for interatomic force constants taken from [2]. Phonon frequency in cm−1. The locations of the high symmetry points are Г (0., 0., 0.), M (π/(a√3), π/a, 0.), K (0., 4π/(3a), 0.).
References:
- P. Brüesch, Phonons: Theory and Experiments I, Springer Berlin, Heidelberg, 1982
- L. J. Karssemeijer and A. Fasolino, Surface Science 605, (2011) 1611.
- L. Wirtz, A. Rubio, Solid State Commun. 131 (2004) 141.
- I.M. Lifshitz, Zh. Eksp. Teor. Fiz. 22 (1952) 475.
- H. Yanagisawa, T. Tanaka, Y. Ishida, M. Matsue, E. Rokuta, S. Otani, C. Oshima, Surf. Interface Anal. 37 (2005) 133.
- N. Mounet, N. Marzari, Phys. Rev. B 71 (2005) 205214.
- B. Fultz, Progress in Materials Science, 5 (2010) 247.
