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dc.contributor.authorLebegue, S
dc.contributor.authorHarl, J
dc.contributor.authorGould, Tim
dc.contributor.authorAngyan, JG
dc.contributor.authorKresse, G
dc.contributor.authorDobson, JF
dc.date.accessioned2017-05-03T11:12:51Z
dc.date.available2017-05-03T11:12:51Z
dc.date.issued2010
dc.date.modified2011-03-04T07:02:29Z
dc.identifier.issn0031-9007
dc.identifier.doi10.1103/PhysRevLett.105.196401
dc.identifier.urihttp://hdl.handle.net/10072/36781
dc.description.abstractThe 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.
dc.description.peerreviewedYes
dc.description.publicationstatusYes
dc.format.extent82804 bytes
dc.format.mimetypeapplication/pdf
dc.languageEnglish
dc.language.isoeng
dc.publisherAmerican Physical Society
dc.publisher.placeUnited States
dc.relation.ispartofstudentpublicationN
dc.relation.ispartofpagefrom196401-1
dc.relation.ispartofpageto196401-4
dc.relation.ispartofissue19
dc.relation.ispartofjournalPhysical Review Letters
dc.relation.ispartofvolume105
dc.rights.retentionY
dc.subject.fieldofresearchMathematical sciences
dc.subject.fieldofresearchPhysical sciences
dc.subject.fieldofresearchCondensed matter modelling and density functional theory
dc.subject.fieldofresearchEngineering
dc.subject.fieldofresearchcode49
dc.subject.fieldofresearchcode51
dc.subject.fieldofresearchcode510403
dc.subject.fieldofresearchcode40
dc.titleCohesive properties and asymptotics of the dispersion Interaction in graphite by the random phase approximation
dc.typeJournal article
dc.type.descriptionC1 - Articles
dc.type.codeC - Journal Articles
gro.rights.copyright© 2010 American Physical Society. This is the author-manuscript version of this paper. Reproduced in accordance with the copyright policy of the publisher. Please refer to the journal's website for access to the definitive, published version.
gro.date.issued2010
gro.hasfulltextFull Text
gro.griffith.authorDobson, John F.
gro.griffith.authorGould, Tim J.


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