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arXiv · 0910.4983

The nature and strength of inter-layer binding in graphite

Leonardo Spanu·Sandro Sorella·Giulia Galli
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Abstract

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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Leonardo Spanu, Sandro Sorella, Giulia Galli. 2009-10-26. The nature and strength of inter-layer binding in graphite. https://doi.org/10.1103/physrevlett.103.196401

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