Atomic-scale simulation of ALD chemistry

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dc.contributor.author Elliott, Simon D.
dc.date.accessioned 2016-04-26T08:39:19Z
dc.date.available 2016-04-26T08:39:19Z
dc.date.issued 2012-06-22
dc.identifier.citation ELLIOTT, S. E. 2012. Atomic-scale simulation of ALD chemistry. Semiconductor Science and Technology, 27, 074008. http://dx.doi.org/10.1088/0268-1242/27/7/074008 en
dc.identifier.volume 27 en
dc.identifier.issued 7 en
dc.identifier.startpage 074008 (1) en
dc.identifier.endpage 074008 (10) en
dc.identifier.issn 0268-1242
dc.identifier.uri http://hdl.handle.net/10468/2478
dc.identifier.doi 10.1088/0268-1242/27/7/074008
dc.description.abstract Published 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.sponsorship Science Foundation Ireland (SFI ALDesign 09.IN1.I2628) en
dc.format.mimetype application/pdf en
dc.language.iso en en
dc.publisher IOP Science en
dc.relation.uri http://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/10.1088/0268-1242/27/7/074008 en
dc.subject Elementary steps en
dc.subject First principles method en
dc.subject High-k dielectric en
dc.subject Precursor adsorption en
dc.subject Reaction mechanism en
dc.subject Semiconductor processing en
dc.title Atomic-scale simulation of ALD chemistry en
dc.type Article (peer-reviewed) en
dc.internal.authorcontactother Simon Elliott, Tyndall Theory Modelling & Design Centre, University College Cork, Cork, Ireland. +353-21-490-3000 Email: simon.elliott@tyndall.ie en
dc.internal.availability Full text available en
dc.date.updated 2015-04-13T16:16:16Z
dc.description.version Accepted Version en
dc.internal.rssid 230018762
dc.contributor.funder Science Foundation Ireland en
dc.description.status Peer reviewed en
dc.identifier.journaltitle Semiconductor Science and Technology en
dc.internal.copyrightchecked Yes !!CORA!! en
dc.internal.licenseacceptance Yes en
dc.internal.IRISemailaddress simon.elliott@tyndall.ie en


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