Abstract
Many calculations require a simple classical model for the interactions between s p2 -bonded carbon atoms, as in graphene or carbon nanotubes. Here we present a valence force model to describe these interactions. The calculated phonon spectrum of graphene and the nanotube breathing-mode energy agree well with experimental measurements and with ab initio calculations. The model does not assume an underlying lattice, so it can also be directly applied to distorted structures. The characteristics and limitations of the model are discussed.
| Original language | English |
|---|---|
| Article number | 241409 |
| Journal | Physical Review B - Condensed Matter and Materials Physics |
| Volume | 79 |
| Issue number | 24 |
| DOIs | |
| State | Published - Jun 30 2009 |
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