English

Thermal rippling behavior of graphane

Materials Science 2015-06-05 v1

Abstract

Thermal fluctuations of single layer hydrogenated graphene (graphane) are investigated using large scale atomistic simulations. By analyzing the mean square value of the height fluctuations <h2><h^2> and the height-height correlation function H(q)H(q) for different system sizes and temperatures we show that hydrogenated graphene is an un-rippled system in contrast to graphene. The height fluctuations are bounded, which is confirmed by a H(q) H(q) tending to a constant in the long wavelength limit instead of showing the characteristic scaling law q4η(η0.85) q^{4-\eta} (\eta \simeq 0.85) predicted by membrane theory. This unexpected behaviour persists up to temperatures of at least 900 K and is a consequence of the fact that in graphane the thermal energy can be accommodated by in-plane bending modes, i.e. modes involving C-C-C bond angles in the buckled carbon layer, instead of leading to significant out-of-plane fluctuations that occur in graphene.

Keywords

Cite

@article{arxiv.1207.1785,
  title  = {Thermal rippling behavior of graphane},
  author = {S. Costamagna and M. Neek-Amal and J. H. Los and F. M. Peeters},
  journal= {arXiv preprint arXiv:1207.1785},
  year   = {2015}
}

Comments

4 pages, 5 figures. To appear in Phys Rev B (Rapid Communications)

R2 v1 2026-06-21T21:32:11.838Z