3 research outputs found
The nature and strength of inter-layer binding in graphite
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.Comment: 5 pages; to appear in Phys. Rev. Let