Research output: Contribution to conference › Poster
|Workshop||Novel 2D materials: tuning electronic properties on the atomic scale|
|Period||11/06/13 → 14/06/13|
The binding energy curves of atomically thin layers are key quantities that enable the description of the interaction of two-dimensional (2D) materials with each other and with substrates. Here, the binding energy of bilayer graphene is calculated using highly accurate variational and diffusion quantum Monte Carlo (QMC) calculations which are implemented in the CASINO code. The results can be used in models of exfoliation and studies of the interaction of graphene and other layered materials.
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