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    Rights statement: © 2015 American Physical Society

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Quantum Monte Carlo calculation of the binding energy of bilayer graphene

Research output: Contribution to Journal/MagazineJournal articlepeer-review

<mark>Journal publication date</mark>11/09/2015
<mark>Journal</mark>Physical review letters
Issue number11
Number of pages1
Pages (from-to)115501
Publication StatusPublished
Early online date10/09/15
<mark>Original language</mark>English


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 the development of van der Waals exchange-correlation functionals for density functional theory calculations.

Bibliographic note

Date of Acceptance: 17/08/2015 © 2015 American Physical Society