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Relaxation of moiré patterns for slightly misaligned identical lattices: graphene on graphite
Ist Teil von
2d materials, 2015-09, Vol.2 (3), p.34010
Ort / Verlag
IOP Publishing
Erscheinungsjahr
2015
Link zum Volltext
Quelle
Alma/SFX Local Collection
Beschreibungen/Notizen
We study the effect of atomic relaxation on the structure of moiré patterns in twisted graphene on graphite and double layer graphene by large scale atomistic simulations. The reconstructed structure can be described as a superlattice of 'hot spots' with vortex-like behaviour of in-plane atomic displacements and increasing out-of-plane displacements with decreasing angle. These lattice distortions affect both scalar and vector potential and the resulting electronic properties. At low misorientation angles ( 1°) the optimized structures deviate drastically from the sinusoidal modulation which is often assumed in calculations of the electronic properties. The proposed structure might be verified by scanning probe microscopy measurements.