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Nature and Strength of Interlayer Binding in Graphite
Open accessAbstract
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.
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Cites
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Cited by
Recent Advances in Two-Dimensional Materials beyond Graphene
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van der Waals forces in density functional theory: a review of the vdW-DF method
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Adsorption of Aromatic and Anti-Aromatic Systems on Graphene through π−π Stacking
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A Rigorous Method of Calculating Exfoliation Energies from First Principles
Jung, J. H., Park, C.-H., & Ihm, J. (2018) · Nano Letters · doi:10.1021/acs.nanolett.7b04201 · Cited by 361
Metadata
- Authors
- Spanu, L., Sorella, S., & Galli, G.
- Venue
- Physical Review Letters
- Publisher
- American Physical Society (APS)
- Published
- 2009-11-06
- Volume
- 103
- Issue
- 19
- Pages
- 196401-196401
- ISSN
- 0031-9007 (ISSN-L)
- 1079-7114
- OpenAlex
- W1762844997
- Cited by
- 277
- References
- 20
- FWCI
- 8.61
- Type
- journal article
- Language
- en
- Open access
- green
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