Bibliographic Details
| Title: |
Thermal rippling behavior of graphane |
| Authors: |
Costamagna, S., Neek-Amal, M., Los, J. H., Peeters, F. M. |
| Source: |
Phys. Rev. B(R) 86, 041408 (2012) |
| Publication Year: |
2012 |
| Collection: |
Condensed Matter |
| Subject Terms: |
Condensed Matter - Materials Science |
| More Details: |
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 $$ and the height-height correlation function $H(q)$ 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) $ tending to a constant in the long wavelength limit instead of showing the characteristic scaling law $ 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.
Comment: 4 pages, 5 figures. To appear in Phys Rev B (Rapid Communications) |
| Document Type: |
Working Paper |
| DOI: |
10.1103/PhysRevB.86.041408 |
| Access URL: |
http://arxiv.org/abs/1207.1785 |
| Accession Number: |
edsarx.1207.1785 |
| Database: |
arXiv |
