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The nature and strength of inter-layer binding in graphite

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 نشر من قبل Leonardo Spanu
 تاريخ النشر 2009
  مجال البحث فيزياء
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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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