Properties of homo- and hetero-Schottky junctions from first principle calculations

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dc.contributor.authorGreer, James C.
dc.contributor.authorBlom, Anders
dc.contributor.authorAnsari, Lida
dc.date.accessioned2020-02-18T12:46:00Z
dc.date.available2020-02-18T12:46:00Z
dc.date.issued2018-09-24
dc.description.abstractElectronic structure calculations for a homo-material semimetal (thick Sn)/semiconductor (thin Sn) heterodimensional junction and two conventional metal (Ag or Pt)/silicon hetero-material junctions are performed. Charge distributions and local density of states are examined to compare the physics of junctions formed by quantum confinement in a homo-material, heterodimensional semimetal junction with that of conventional Schottky hetero-material junctions. Relative contributions to the Schottky barrier heights are described in terms of the interface dipoles arising due to charge transfer at the interface and the effects of metal induced gap states extending into the semiconducting regions. Although the importance of these physical mechanisms vary for the three junctions, a single framework describing the junction energetics captures the behaviors of both the heterodimensional semimetal junction and the more conventional metal/semiconductor junctions.en
dc.description.statusPeer revieweden
dc.description.versionAccepted Versionen
dc.format.mimetypeapplication/pdfen
dc.identifier.articleid414003en
dc.identifier.citationGreer, J. C., Blom, A. and Ansari, L. (2018) 'Properties of homo- and hetero-Schottky junctions from first principle calculations', Journal of Physics: Condensed Matter, 30(41), 414003 (8 pp). doi: 10.1088/1361-648x/aadbeden
dc.identifier.doi10.1088/1361-648x/aadbeden
dc.identifier.endpage8en
dc.identifier.issn0953-8984
dc.identifier.issn1361-648X
dc.identifier.issued41en
dc.identifier.journaltitleJournal of Physics: Condensed Matteren
dc.identifier.startpage1en
dc.identifier.urihttps://hdl.handle.net/10468/9658
dc.identifier.volume30en
dc.language.isoenen
dc.publisherIOP Publishingen
dc.relation.urihttps://iopscience.iop.org/article/10.1088/1361-648X/aadbed/meta
dc.rights© 2018 IOP Publishing Ltd. This is an author-created, un-copyedited version of an article accepted for publication in Journal of Physics: Condensed Matter. The publisher is not responsible for any errors or omissions in this version of the manuscript or any version derived from it. The Version of Record is available online at http://dx.doi.org/10.1088/1361-648X/aadbed . As the Version of Record of this article has been published on a subscription basis, this Accepted Manuscript will be available for reuse under a CC BY-NC-ND 3.0 licence after a 12 month embargo period.en
dc.rights.urihttps://creativecommons.org/licences/by-nc-nd/3.0en
dc.subjectAb initio calculationsen
dc.subjectElectron transporten
dc.subjectElectronic structureen
dc.subjectQuantum confinementen
dc.subjectSchottky junctionen
dc.subjectSemi-metalen
dc.subjectInterface statesen
dc.subjectCalculationsen
dc.subjectCharge transferen
dc.subjectElectron transport propertiesen
dc.subjectElectronic structureen
dc.subjectMetalloidsen
dc.subjectQuantum chemistryen
dc.subjectQuantum confinementen
dc.subjectSchottky barrier diodesen
dc.subjectSemiconductor junctionsen
dc.titleProperties of homo- and hetero-Schottky junctions from first principle calculationsen
dc.typeArticle (peer-reviewed)en
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