Structural modification of thin Bi(1 1 1) films by passivation and native oxide model

Show simple item record König, Christian Fahy, Stephen B. Greer, James C. 2019-10-30T06:21:12Z 2019-10-30T06:21:12Z 2019-06-10
dc.identifier.citation König, C., Fahy, S. B. and Greer, J.C., 2019. Structural modification of thin Bi (1 1 1) films by passivation and native oxide model. Physical Review Materials, 3(6), 065002. (19 pp.). DOI:10.1103/PhysRevMaterials.3.065002 en
dc.identifier.volume 3 en
dc.identifier.issued 6 en
dc.identifier.startpage 1 en
dc.identifier.endpage 19 en
dc.identifier.doi 10.1103/PhysRevMaterials.3.065002 en
dc.description.abstract The structure of thin terminated Bi(1 1 1) films of approximately 1 nm thickness is investigated from first principles. Our density functional theory calculations show that covalent bonds to the surface can change the orientation of the films completely. For thicker films, the effect is limited to the surface only. Based on these observations, we further present a simple model structure for the native oxide and chemically similar oxides, which form a protective capping layer, leaving the orientation of the films unchanged. The advantages of this energetically favorable layered termination are discussed in the context of the films’ technological exploitation in nanoelectronic devices. en
dc.format.mimetype application/pdf en
dc.language.iso en en
dc.publisher American Physical Society en
dc.rights © 2019 American Physical Society en
dc.subject Native oxide model en
dc.subject Passivation en
dc.subject Bi(1 1 1) film en
dc.title Structural modification of thin Bi(1 1 1) films by passivation and native oxide model en
dc.type Article (peer-reviewed) en
dc.internal.authorcontactother Christian König, Tyndall National Institute, University College Cork, Cork, Ireland. +353-21-490-3000 Email: en
dc.internal.availability Full text available en
dc.description.version Published Version en
dc.contributor.funder Science Foundation Ireland en
dc.description.status Peer reviewed en
dc.identifier.journaltitle Physical Review Materials en
dc.internal.IRISemailaddress en
dc.identifier.articleid 065002 en
dc.relation.project info:eu-repo/grantAgreement/SFI/SFI Investigator Programme/13/IA/1956/IE/SMALL: Semi-Metal ALL-in-One Technologies/ en
dc.identifier.eissn 2475-9953

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