期刊
PHYSICAL REVIEW LETTERS
卷 105, 期 19, 页码 -出版社
AMER PHYSICAL SOC
DOI: 10.1103/PhysRevLett.105.196401
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资金
- Australian Governments International Science Linkages program
- France-Australia FAST
- ANR [ANR-07-BLAN-0272, ANR-06-NANO-053-02]
- Austrian Fonds zur Forderung der wissenschaftlichen Forschung
- Agence Nationale de la Recherche (ANR) [ANR-07-BLAN-0272] Funding Source: Agence Nationale de la Recherche (ANR)
The structural properties of graphite, such as the interlayer equilibrium distance, the elastic constant, and the net layer binding energy, are obtained using the adiabatic-connection fluctuation-dissipation theorem in the random phase approximation. Excellent agreement is found with the available experimental data; however, our computed binding energy of 48 meV per atom is somewhat smaller than the one obtained by quantum Monte Carlo methods. The asymptotic behavior of the interlayer dispersion interaction, previously derived from analytic approximations, is explicitly demonstrated to follow a d(-3) behavior at very large distances.
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