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

@article{Mostaani2015QuantumMC, 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}, year={2015}, volume={115 11}, pages={ 115501 } }

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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