The nature and strength of inter-layer binding in graphite

Details The nature and strength of inter-layer binding in graphite The nature and strength of inter-layer binding in graphite

2009-10-26

arxiv.org/abs/0910.4983v1

Physics

Condensed Matter

Materials Science

5 pages; to appear in Phys. Rev. Lett

Scientific paper

We computed the inter-layer bonding properties of graphite using an ab-initio many body theory. We carried out variational and diffusion quantum Monte Carlo calculations and found an equilibrium inter-layer binding energy in good agreement with most recent experiments. We also analyzed the behavior of the total energy as a function of interlayer separation at large distances comparing the results with the predictions of the random phase approximation.

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