First-principles calculations of strontium on Si(001)

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dc.creatorAshman, Christopher R.
dc.creatorFoerst, Clemens J.
dc.creatorSchwarz, Karlheinz
dc.creatorBloechl, Peter E.
dc.date2003-08-29
dc.date.accessioned2026-07-07T02:53:11Z
dc.date.available2026-07-07T02:53:11Z
dc.descriptionThis paper reports state-of-the-art electronic structure calculations on the deposition of strontium on the technologically relevant, (001) orientated silicon surface. We identified the surface reconstructions from zero to four thirds monolayers and relate them to experimentally reported data. A phase diagram is proposed. We predict phases at 1/6, 1/4, 1/2, 2/3 and 1 monolayers. Our results are expected to provide valuable information in order to understand heteroepitaxial growth of a prominent class of high-K oxides around SrTiO3. The insight obtained for strontium is expected to be transferable to other alkaline earth metals.
dc.identifierhttps://arxiv.org/abs/cond-mat/0308621
dc.identifierhttp://arxiv.org/abs/cond-mat/0308621
dc.identifierPhys. Rev. B 69, 075309 (2004)
dc.identifierdoi:10.1103/PhysRevB.69.075309
dc.identifier.urihttp://salesiana.dossiersoluciones.com/handle/123456789/22118
dc.subjectCondensed Matter
dc.titleFirst-principles calculations of strontium on Si(001)
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