Ab-initio simulations on growth and interface properties of epitaxial oxides on silicon

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dc.creatorFoerst, Clemens J.
dc.creatorAshman, Christopher R.
dc.creatorSchwarz, Karlheinz
dc.creatorBloechl, Peter E.
dc.date2005-04-11
dc.date.accessioned2026-07-07T06:28:26Z
dc.date.available2026-07-07T06:28:26Z
dc.descriptionThe replacement of SiO2 by so-called high-k oxides is one of the major challenges for the semiconductor industry to date. Based on electronic structure calculations and ab-initio molecular dynamics simulations, we are able to provide a consistent picture of the growth process of a class of epitaxial oxides around SrO and SrTiO3. The detailed understanding of the interfacial binding principles has also allowed us to propose a way to engineer the band-offsets between the oxide and the silicon substrate.
dc.description6 pages, 6 figures, proceeding for the INFOS2005 conference (http://www.imec.be/infos/)
dc.identifierhttps://arxiv.org/abs/cond-mat/0504256
dc.identifierhttp://arxiv.org/abs/cond-mat/0504256
dc.identifierMicroelectronic Engineering 80, 402 (2005)
dc.identifierdoi:10.1016/j.mee.2005.04.100
dc.identifier.urihttp://salesiana.dossiersoluciones.com/handle/123456789/97702
dc.subjectMaterials Science
dc.titleAb-initio simulations on growth and interface properties of epitaxial oxides on silicon
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