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Article: First-principles study of indium on silicon (1 0 0) - The structure, defects and interdiffusion
Title | First-principles study of indium on silicon (1 0 0) - The structure, defects and interdiffusion |
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Authors | |
Keywords | Indium Silicon Surface Defects Surface Diffusion Surface Structure, Morphology, Roughness, And Topography |
Issue Date | 2004 |
Publisher | Elsevier 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? |
Abstract | The 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 Identifier | http://hdl.handle.net/10722/175171 |
ISSN | 2023 Impact Factor: 2.1 2023 SCImago Journal Rankings: 0.385 |
ISI Accession Number ID | |
References |
DC Field | Value | Language |
---|---|---|
dc.contributor.author | Dai, XQ | en_US |
dc.contributor.author | Ju, WW | en_US |
dc.contributor.author | Wang, GT | en_US |
dc.contributor.author | Xie, MH | en_US |
dc.date.accessioned | 2012-11-26T08:49:36Z | - |
dc.date.available | 2012-11-26T08:49:36Z | - |
dc.date.issued | 2004 | en_US |
dc.identifier.citation | Surface Science, 2004, v. 572 n. 1, p. 77-83 | en_US |
dc.identifier.issn | 0039-6028 | en_US |
dc.identifier.uri | http://hdl.handle.net/10722/175171 | - |
dc.description.abstract | The 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.language | eng | en_US |
dc.publisher | Elsevier BV. The Journal's web site is located at http://www.elsevier.com/locate/susc | en_US |
dc.relation.ispartof | Surface Science | en_US |
dc.rights | Surface Science. Copyright © Elsevier BV. | - |
dc.subject | Indium | en_US |
dc.subject | Silicon | en_US |
dc.subject | Surface Defects | en_US |
dc.subject | Surface Diffusion | en_US |
dc.subject | Surface Structure, Morphology, Roughness, And Topography | en_US |
dc.title | First-principles study of indium on silicon (1 0 0) - The structure, defects and interdiffusion | en_US |
dc.type | Article | en_US |
dc.identifier.email | Xie, MH: mhxie@hku.hk | en_US |
dc.identifier.authority | Xie, MH=rp00818 | en_US |
dc.description.nature | link_to_subscribed_fulltext | en_US |
dc.identifier.doi | 10.1016/j.susc.2004.08.024 | en_US |
dc.identifier.scopus | eid_2-s2.0-7644241630 | en_US |
dc.identifier.hkuros | 96337 | - |
dc.relation.references | http://www.scopus.com/mlt/select.url?eid=2-s2.0-7644241630&selection=ref&src=s&origin=recordpage | en_US |
dc.identifier.volume | 572 | en_US |
dc.identifier.issue | 1 | en_US |
dc.identifier.spage | 77 | en_US |
dc.identifier.epage | 83 | en_US |
dc.identifier.isi | WOS:000224999900009 | - |
dc.publisher.place | Netherlands | en_US |
dc.identifier.scopusauthorid | Dai, XQ=7201696526 | en_US |
dc.identifier.scopusauthorid | Ju, WW=7005898413 | en_US |
dc.identifier.scopusauthorid | Wang, GT=35085619100 | en_US |
dc.identifier.scopusauthorid | Xie, MH=7202255416 | en_US |
dc.identifier.issnl | 0039-6028 | - |