Dresden 2011 – wissenschaftliches Programm

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DY: Fachverband Dynamik und Statistische Physik

DY 15: ISPS Intersectional Poster Session

DY 15.29: Poster

Dienstag, 15. März 2011, 18:00–20:00, P1

The density of Stone-Wales defects in a graphene nano-ribbon in terms of a Potts-like model — •Jaime E. Santos — Max Planck Institute for the Physics of Complex Systems, Noethnitzer Str. 38, 01187 Dresden

We will discuss a 1d Potts-like model that accounts for the density of Stone-Wales defects along a zig-zag edge of a graphene nano-ribbon. The couplings of the model can be extracted from DFT, both in the case of H-passivated and non-passivated edges. Given that the couplings only involve nearest neighbouring sites, we can write the partition function of the model in terms of a transfer matrix that is easily diagonalisable, yielding the thermodynamics of the model.