Literature DB >> 20365938

Nature and strength of interlayer binding in graphite.

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


  18 in total

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9.  Optimized Structure and Vibrational Properties by Error Affected Potential Energy Surfaces.

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10.  Interlayer interactions in graphites.

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