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Article: Structural properties of oxygen on InN(0 0 0 1) surface

TitleStructural properties of oxygen on InN(0 0 0 1) surface
Authors
KeywordsFirst-Principles
Inn
Oxygen Adsorption
Surface Reconstruction
Issue Date2007
PublisherElsevier BV. The Journal's web site is located at http://www.elsevier.com/locate/susc
Citation
Surface Science, 2007, v. 601 n. 10, p. 2161-2165 How to Cite?
AbstractFirst-principles calculations are performed to study the various structures of oxygen (O) adsorbed on InN(0 0 0 1) surfaces. It is found that the formation energy of O on InN(0 0 0 1) decreases with decreasing oxygen coverage. Of all the adsorbate induced surface structures examined, the structure of InN(0 0 0 1)-(2 × 2) as caused by O adsorption at the H3 sites with 0.25 monolayers coverage is most energetically favorable. Meanwhile, nitrogen (N) vacancy can form spontaneously. Oxygen atoms may also substitute N atoms, or accumulate at the voids inside InN film or simply stay on the surface during growth. The oxygen impurity then acts as a potential source for the n-type conductivity of InN as well as the large energy band gap measured. © 2007 Elsevier B.V. All rights reserved.
Persistent Identifierhttp://hdl.handle.net/10722/175064
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.authorWang, JLen_US
dc.contributor.authorYan, HJen_US
dc.contributor.authorWu, XHen_US
dc.contributor.authorXie, MHen_US
dc.date.accessioned2012-11-26T08:49:03Z-
dc.date.available2012-11-26T08:49:03Z-
dc.date.issued2007en_US
dc.identifier.citationSurface Science, 2007, v. 601 n. 10, p. 2161-2165en_US
dc.identifier.issn0039-6028en_US
dc.identifier.urihttp://hdl.handle.net/10722/175064-
dc.description.abstractFirst-principles calculations are performed to study the various structures of oxygen (O) adsorbed on InN(0 0 0 1) surfaces. It is found that the formation energy of O on InN(0 0 0 1) decreases with decreasing oxygen coverage. Of all the adsorbate induced surface structures examined, the structure of InN(0 0 0 1)-(2 × 2) as caused by O adsorption at the H3 sites with 0.25 monolayers coverage is most energetically favorable. Meanwhile, nitrogen (N) vacancy can form spontaneously. Oxygen atoms may also substitute N atoms, or accumulate at the voids inside InN film or simply stay on the surface during growth. The oxygen impurity then acts as a potential source for the n-type conductivity of InN as well as the large energy band gap measured. © 2007 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.subjectFirst-Principlesen_US
dc.subjectInnen_US
dc.subjectOxygen Adsorptionen_US
dc.subjectSurface Reconstructionen_US
dc.titleStructural properties of oxygen on InN(0 0 0 1) surfaceen_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.2007.03.009en_US
dc.identifier.scopuseid_2-s2.0-34247896951en_US
dc.identifier.hkuros126966-
dc.relation.referenceshttp://www.scopus.com/mlt/select.url?eid=2-s2.0-34247896951&selection=ref&src=s&origin=recordpageen_US
dc.identifier.volume601en_US
dc.identifier.issue10en_US
dc.identifier.spage2161en_US
dc.identifier.epage2165en_US
dc.identifier.isiWOS:000247090500011-
dc.publisher.placeNetherlandsen_US
dc.identifier.scopusauthoridDai, XQ=7201696526en_US
dc.identifier.scopusauthoridWang, JL=24169715600en_US
dc.identifier.scopusauthoridYan, HJ=35748267200en_US
dc.identifier.scopusauthoridWu, XH=16302348600en_US
dc.identifier.scopusauthoridXie, MH=7202255416en_US

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