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Nearest neighbour considerations in stillinger-weber type potentials for diamond

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dc.contributor.authorBarnard, A. S.en
dc.contributor.authorRusso, S. P.en
dc.contributor.authorLeach, G. I.en
dc.date.accessioned2026-01-01T09:41:49Z
dc.date.available2026-01-01T09:41:49Z
dc.date.issued2002-01-01en
dc.description.abstractResults of a preliminary investigation into the effect of varying the interaction cutoff on the bulk properties of diamond using a Stillinger-Weber (SW) type potential for C (Diamond) are presented. The interaction cutoff is varied over a range that includes and excludes the second-nearest neighbours. Whilst the original SW potential for silicon only included first-nearest neighbours inside the interaction cut-off, subsequent parameterizations for carbon (diamond) have also included second-nearest neighbours. Elastic and vibration properties of diamond were calculated over a range of cutoff distances used and the results show that certain lattice properties exhibit an approximately linear dependence on the interaction cut-off.en
dc.description.statusPeer-revieweden
dc.format.extent11en
dc.identifier.issn0892-7022en
dc.identifier.otherORCID:/0000-0002-4784-2382/work/162952566en
dc.identifier.scopus11144268012en
dc.identifier.urihttps://hdl.handle.net/1885/733799618
dc.language.isoenen
dc.sourceMolecular Simulationen
dc.subjectDiamonden
dc.subjectElastic constantsen
dc.subjectInteratomic potentialen
dc.subjectNearest-neighbour interactionsen
dc.subjectPhonon modesen
dc.subjectStillinger-Weber potentialen
dc.titleNearest neighbour considerations in stillinger-weber type potentials for diamonden
dc.typeJournal articleen
dspace.entity.typePublicationen
local.bibliographicCitation.lastpage771en
local.bibliographicCitation.startpage761en
local.contributor.affiliationBarnard, A. S.; Royal Melbourne Institute of Technology Universityen
local.contributor.affiliationRusso, S. P.; Royal Melbourne Institute of Technology Universityen
local.contributor.affiliationLeach, G. I.; Royal Melbourne Institute of Technology Universityen
local.identifier.citationvolume28en
local.identifier.doi10.1080/0892702021000002476en
local.identifier.purefbaa2510-7b1f-48bc-8e95-e6abf82e4022en
local.identifier.urlhttps://www.scopus.com/pages/publications/11144268012en
local.type.statusPublisheden

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