Quantum Monte Carlo calculation of the binding energy of bilayer graphene.

  title={Quantum Monte Carlo calculation of the binding energy of bilayer graphene.},
  author={Elaheh Mostaani and Neil D Drummond and Vladimir I. Fal’ko},
  journal={Physical review letters},
  volume={115 11},
We report diffusion quantum Monte Carlo calculations of the interlayer binding energy of bilayer graphene. We find the binding energies of the AA-and AB-stacked structures at the equilibrium separation to be 11.5(9) and 17.7(9)  meV/atom, respectively. The out-of-plane zone-center optical phonon frequency predicted by our binding-energy curve is consistent with available experimental results. As well as assisting the modeling of interactions between graphene layers, our results will facilitate… 

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