Atomic-scale simulation of ALD chemistry

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dc.contributor.authorElliott, Simon D.
dc.contributor.funderScience Foundation Irelanden
dc.date.accessioned2016-04-26T08:39:19Z
dc.date.available2016-04-26T08:39:19Z
dc.date.issued2012-06-22
dc.date.updated2015-04-13T16:16:16Z
dc.description.abstractPublished papers on atomic-scale simulation of the atomic layer deposition (ALD) process are reviewed. The main topic is reaction mechanism, considering the elementary steps of precursor adsorption, ligand elimination and film densification, as well as reactions with substrates (particularly Si and SiO2) and CVD-like decomposition at the surface. Density functional theory is the first principles method generally applied to these mechanistic questions. The most popular subject for modelling is the ALD of oxides and nitrides, particularly the high-k dielectrics HfO2, ZrO2 and Al2O3, due to their importance in semiconductor processing.en
dc.description.sponsorshipScience Foundation Ireland (SFI ALDesign 09.IN1.I2628)en
dc.description.statusPeer revieweden
dc.description.versionAccepted Versionen
dc.format.mimetypeapplication/pdfen
dc.identifier.citationELLIOTT, S. E. 2012. Atomic-scale simulation of ALD chemistry. Semiconductor Science and Technology, 27, 074008. http://dx.doi.org/10.1088/0268-1242/27/7/074008en
dc.identifier.doi10.1088/0268-1242/27/7/074008
dc.identifier.endpage074008 (10)en
dc.identifier.issn0268-1242
dc.identifier.issued7en
dc.identifier.journaltitleSemiconductor Science and Technologyen
dc.identifier.startpage074008 (1)en
dc.identifier.urihttps://hdl.handle.net/10468/2478
dc.identifier.volume27en
dc.language.isoenen
dc.publisherIOP Scienceen
dc.relation.urihttp://stacks.iop.org/0268-1242/27/i=7/a=074008
dc.rights© 2012 IOP Publishing Ltd. This is an author-created, un-copyedited version of an article published in Semiconductor Science and Technology. IOP Publishing Ltd is not responsible for any errors or omissions in this version of the manuscript or any version derived from it. The Version of Record is available online at http://dx.doi.org/10.1088/0268-1242/27/7/074008en
dc.subjectElementary stepsen
dc.subjectFirst principles methoden
dc.subjectHigh-k dielectricen
dc.subjectPrecursor adsorptionen
dc.subjectReaction mechanismen
dc.subjectSemiconductor processingen
dc.titleAtomic-scale simulation of ALD chemistryen
dc.typeArticle (peer-reviewed)en
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