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Article: First-principles study of indium on silicon (1 0 0) - The structure, defects and interdiffusion

TitleFirst-principles study of indium on silicon (1 0 0) - The structure, defects and interdiffusion
Authors
KeywordsIndium
Silicon
Surface Defects
Surface Diffusion
Surface Structure, Morphology, Roughness, And Topography
Issue Date2004
PublisherElsevier BV. The Journal's web site is located at http://www.elsevier.com/locate/susc
Citation
Surface Science, 2004, v. 572 n. 1, p. 77-83 How to Cite?
AbstractThe atomic structures of indium (In) on silicon (Si) (1 0 0)-(2 × 1) surface are investigated by the local density approximation using first-principles pseudopotentials. Total energy optimizations show that the energetically favored structure is the parallel ad-dimer model. The adsorption energy of In on ideal Si(1 0 0)-(1 × 1) surface is significantly higher than that on reconstructed Si(1 0 0)-(2 × 1) surface, suggesting that In adsorption does not break the Si-Si dimer bond of the substrate. When Si surface contains single dimer vacancy defects, In chain will be interrupted, leading to disconnected In nanowires. Displacive adsorption of In on Si(1 0 0) is also considered, and the calculation suggests that interdiffusion of In into Si substrate will not be favorable under equilibrium conditions. © 2004 Elsevier B.V. All rights reserved.
Persistent Identifierhttp://hdl.handle.net/10722/175171
ISSN
2015 Impact Factor: 1.931
2015 SCImago Journal Rankings: 0.792
ISI Accession Number ID
References

 

DC FieldValueLanguage
dc.contributor.authorDai, XQen_US
dc.contributor.authorJu, WWen_US
dc.contributor.authorWang, GTen_US
dc.contributor.authorXie, MHen_US
dc.date.accessioned2012-11-26T08:49:36Z-
dc.date.available2012-11-26T08:49:36Z-
dc.date.issued2004en_US
dc.identifier.citationSurface Science, 2004, v. 572 n. 1, p. 77-83en_US
dc.identifier.issn0039-6028en_US
dc.identifier.urihttp://hdl.handle.net/10722/175171-
dc.description.abstractThe atomic structures of indium (In) on silicon (Si) (1 0 0)-(2 × 1) surface are investigated by the local density approximation using first-principles pseudopotentials. Total energy optimizations show that the energetically favored structure is the parallel ad-dimer model. The adsorption energy of In on ideal Si(1 0 0)-(1 × 1) surface is significantly higher than that on reconstructed Si(1 0 0)-(2 × 1) surface, suggesting that In adsorption does not break the Si-Si dimer bond of the substrate. When Si surface contains single dimer vacancy defects, In chain will be interrupted, leading to disconnected In nanowires. Displacive adsorption of In on Si(1 0 0) is also considered, and the calculation suggests that interdiffusion of In into Si substrate will not be favorable under equilibrium conditions. © 2004 Elsevier B.V. All rights reserved.en_US
dc.languageengen_US
dc.publisherElsevier BV. The Journal's web site is located at http://www.elsevier.com/locate/suscen_US
dc.relation.ispartofSurface Scienceen_US
dc.rightsSurface Science. Copyright © Elsevier BV.-
dc.subjectIndiumen_US
dc.subjectSiliconen_US
dc.subjectSurface Defectsen_US
dc.subjectSurface Diffusionen_US
dc.subjectSurface Structure, Morphology, Roughness, And Topographyen_US
dc.titleFirst-principles study of indium on silicon (1 0 0) - The structure, defects and interdiffusionen_US
dc.typeArticleen_US
dc.identifier.emailXie, MH: mhxie@hku.hken_US
dc.identifier.authorityXie, MH=rp00818en_US
dc.description.naturelink_to_subscribed_fulltexten_US
dc.identifier.doi10.1016/j.susc.2004.08.024en_US
dc.identifier.scopuseid_2-s2.0-7644241630en_US
dc.identifier.hkuros96337-
dc.relation.referenceshttp://www.scopus.com/mlt/select.url?eid=2-s2.0-7644241630&selection=ref&src=s&origin=recordpageen_US
dc.identifier.volume572en_US
dc.identifier.issue1en_US
dc.identifier.spage77en_US
dc.identifier.epage83en_US
dc.identifier.isiWOS:000224999900009-
dc.publisher.placeNetherlandsen_US
dc.identifier.scopusauthoridDai, XQ=7201696526en_US
dc.identifier.scopusauthoridJu, WW=7005898413en_US
dc.identifier.scopusauthoridWang, GT=35085619100en_US
dc.identifier.scopusauthoridXie, MH=7202255416en_US

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