Please use this identifier to cite or link to this item: http://hdl.handle.net/11455/71256
DC FieldValueLanguage
dc.contributor.authorLiu, P.L.en_US
dc.contributor.authorSiao, Y.J.en_US
dc.contributor.authorWu, Y.T.en_US
dc.contributor.authorWang, C.H.en_US
dc.contributor.authorChen, C.S.en_US
dc.date2011zh_TW
dc.date.accessioned2014-06-11T06:01:05Z-
dc.date.available2014-06-11T06:01:05Z-
dc.identifier.issn1359-6462zh_TW
dc.identifier.urihttp://hdl.handle.net/11455/71256-
dc.description.abstractWe present first-principle calculations on the heterojunction between a wurtzite GaN(0 0 0 1) film and a monoclinic beta-Ga2O3(1 0 0) substrate. The relative stability of different models of the GaN(0 0 0 1)/Ga2O3(1 0 0) interface was investigated and the most favorable interface consists of threefold- and sixfold-coordinated Ga. This interface structure gives rise to Ga-polarity in the GaN(0 0 0 1) epitaxial film. A detailed analysis of the electronic structure indicates that undistorted bonding at the interface stabilizes this structure between a wurtzite GaN(0 0 0 1) and a monoclinic beta-Ga2O3(1 0 0). (C) 2011 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.en_US
dc.language.isoen_USzh_TW
dc.relationScripta Materialiaen_US
dc.relation.ispartofseriesScripta Materialia, Volume 65, Issue 6, Page(s) 465-468.en_US
dc.relation.urihttp://dx.doi.org/10.1016/j.scriptamat.2011.05.028en_US
dc.subjectGaNen_US
dc.subjectGa2O3en_US
dc.subjectInterfaceen_US
dc.subjectPolarityen_US
dc.subjectFirst-principles calculationsen_US
dc.subjectvapor-phase epitaxyen_US
dc.subjectwave basis-seten_US
dc.subjectultrasoft pseudopotentialsen_US
dc.subjectbeta-ga2o3en_US
dc.subjectgrowthen_US
dc.subjectganen_US
dc.subjectsemiconductorsen_US
dc.subjectsurfacesen_US
dc.titleStructural, electronic and energetic properties of GaN 0001 /Ga2O3 100 heterojunctions: A first-principles density functional theory studyen_US
dc.typeJournal Articlezh_TW
dc.identifier.doi10.1016/j.scriptamat.2011.05.028zh_TW
item.grantfulltextnone-
item.openairetypeJournal Article-
item.languageiso639-1en_US-
item.fulltextno fulltext-
item.cerifentitytypePublications-
item.openairecristypehttp://purl.org/coar/resource_type/c_18cf-
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