Journal
PHYSICAL REVIEW LETTERS
Volume 113, Issue 13, Pages -Publisher
AMER PHYSICAL SOC
DOI: 10.1103/PhysRevLett.113.135504
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Funding
- European Union Seventh Framework Programme [604391]
- COST Action [MP1303]
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By atomistic modeling of moire patterns of graphene on a substrate with a small lattice mismatch, we find qualitatively different strain distributions for small and large misorientation angles, corresponding to the commensurate-incommensurate transition recently observed in graphene on hexagonal BN. We find that the ratio of C-N and C-B interactions is the main parameter determining the different bond lengths in the center and edges of the moire pattern. Agreement with experimental data is obtained only by assuming that the C-B interactions are at least twice weaker than the C-N interactions. The correspondence between the strain distribution in the nanoscale moire pattern and the potential energy surface at the atomic scale found in our calculations makes the moire pattern a tool to study details of dispersive forces in van der Waals heterostructures.
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