| Literature DB >> 20365938 |
Leonardo Spanu1, Sandro Sorella, Giulia Galli.
Abstract
We compute the interlayer bonding properties of graphite using an ab initio many-body theory. We carry out variational and diffusion quantum Monte Carlo calculations and find an equilibrium interlayer binding energy in good agreement with most recent experiments. We also analyze 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.Entities:
Year: 2009 PMID: 20365938 DOI: 10.1103/PhysRevLett.103.196401
Source DB: PubMed Journal: Phys Rev Lett ISSN: 0031-9007 Impact factor: 9.161