Incomplete melting of the Si(100) surface from molecular-dynamics simulations using the Effective-Medium Tight-Binding model

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dc.creatorJacobsen, K. Stokbro K. W.
dc.creatorNørskov, J. K.
dc.creatorDeaven, D. M.
dc.creatorWang, C. Z.
dc.creatorHo, K. M.
dc.date1996-04-02
dc.date.accessioned2026-07-07T06:27:48Z
dc.date.available2026-07-07T06:27:48Z
dc.descriptionWe present molecular-dynamics simulations of the Si(100) surface in the temperature range 1100-1750K. To describe the total energy and forces we use the Effective-Medium Tight-Binding model. The defect-free surface is found to melt at the bulk melting point, which we determine to be 1650 K, but for a surface with dimer vacancies we find a pre-melting of the first two layers 100 K below the melting point. We show that these findings can rationalize recent experimental studies of the high temperature Si(100) surface.
dc.description13 pages, 7 figures; To appear in Surface Science
dc.identifierhttps://arxiv.org/abs/cond-mat/9604012
dc.identifierhttp://arxiv.org/abs/cond-mat/9604012
dc.identifierSurface Science 360, 221(1996)
dc.identifier.urihttp://salesiana.dossiersoluciones.com/handle/123456789/97516
dc.subjectCondensed Matter
dc.titleIncomplete melting of the Si(100) surface from molecular-dynamics simulations using the Effective-Medium Tight-Binding model
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