Defect engineering of the electronic transport through cuprous oxide interlayers

Handle URI:
http://hdl.handle.net/10754/611778
Title:
Defect engineering of the electronic transport through cuprous oxide interlayers
Authors:
Fadlallah, Mohamed M.; Eckern, Ulrich; Schwingenschlögl, Udo ( 0000-0003-4179-7231 )
Abstract:
The electronic transport through Au–(Cu2O)n–Au junctions is investigated using first-principles calculations and the nonequilibrium Green’s function method. The effect of varying the thickness (i.e., n) is studied as well as that of point defects and anion substitution. For all Cu2O thicknesses the conductance is more enhanced by bulk-like (in contrast to near-interface) defects, with the exception of O vacancies and Cl substitutional defects. A similar transmission behavior results from Cu deficiency and N substitution, as well as from Cl substitution and N interstitials for thick Cu2O junctions. In agreement with recent experimental observations, it is found that N and Cl doping enhances the conductance. A Frenkel defect, i.e., a superposition of an O interstitial and O substitutional defect, leads to a remarkably high conductance. From the analysis of the defect formation energies, Cu vacancies are found to be particularly stable, in agreement with earlier experimental and theoretical work.
KAUST Department:
Physical Sciences and Engineering (PSE) Division
Citation:
Defect engineering of the electronic transport through cuprous oxide interlayers 2016, 6:27049 Scientific Reports
Publisher:
Springer Nature
Journal:
Scientific Reports
Issue Date:
3-Jun-2016
DOI:
10.1038/srep27049
Type:
Article
ISSN:
2045-2322
Sponsors:
We acknowledge financial support by the Deutsche Forschungsgemeinschaft (through TRR 80). The research reported in this publication was supported by funding from King Abdullah University of Science and Technology (KAUST).
Additional Links:
http://www.nature.com/articles/srep27049
Appears in Collections:
Articles

Full metadata record

DC FieldValue Language
dc.contributor.authorFadlallah, Mohamed M.en
dc.contributor.authorEckern, Ulrichen
dc.contributor.authorSchwingenschlögl, Udoen
dc.date.accessioned2016-06-06T07:29:28Z-
dc.date.available2016-06-06T07:29:28Z-
dc.date.issued2016-06-03-
dc.identifier.citationDefect engineering of the electronic transport through cuprous oxide interlayers 2016, 6:27049 Scientific Reportsen
dc.identifier.issn2045-2322-
dc.identifier.doi10.1038/srep27049-
dc.identifier.urihttp://hdl.handle.net/10754/611778-
dc.description.abstractThe electronic transport through Au–(Cu2O)n–Au junctions is investigated using first-principles calculations and the nonequilibrium Green’s function method. The effect of varying the thickness (i.e., n) is studied as well as that of point defects and anion substitution. For all Cu2O thicknesses the conductance is more enhanced by bulk-like (in contrast to near-interface) defects, with the exception of O vacancies and Cl substitutional defects. A similar transmission behavior results from Cu deficiency and N substitution, as well as from Cl substitution and N interstitials for thick Cu2O junctions. In agreement with recent experimental observations, it is found that N and Cl doping enhances the conductance. A Frenkel defect, i.e., a superposition of an O interstitial and O substitutional defect, leads to a remarkably high conductance. From the analysis of the defect formation energies, Cu vacancies are found to be particularly stable, in agreement with earlier experimental and theoretical work.en
dc.description.sponsorshipWe acknowledge financial support by the Deutsche Forschungsgemeinschaft (through TRR 80). The research reported in this publication was supported by funding from King Abdullah University of Science and Technology (KAUST).en
dc.language.isoenen
dc.publisherSpringer Natureen
dc.relation.urlhttp://www.nature.com/articles/srep27049en
dc.rightsThis work is licensed under a Creative Commons Attribution 4.0 International License. The images or other third party material in this article are included in the article’s Creative Commons license, unless indicated otherwise in the credit line; if the material is not included under the Creative Commons license, users will need to obtain permission from the license holder to reproduce the material. To view a copy of this license, visit http://creativecommons.org/licenses/by/4.0/en
dc.titleDefect engineering of the electronic transport through cuprous oxide interlayersen
dc.typeArticleen
dc.contributor.departmentPhysical Sciences and Engineering (PSE) Divisionen
dc.identifier.journalScientific Reportsen
dc.eprint.versionPublisher's Version/PDFen
dc.contributor.institutionInstitut für Physik, Universität Augsburg, 86135 Augsburg, Germanyen
dc.contributor.institutionCentre for Fundamental Physics, Zewail City of Science and Technology, Giza, Egypten
dc.contributor.institutionPhysics Department, Faculty of Science, Benha University, Benha, Egypten
dc.contributor.affiliationKing Abdullah University of Science and Technology (KAUST)en
kaust.authorSchwingenschlögl, Udoen
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