Show simple item record

dc.contributor.authorWATSON, GRAEMEen
dc.contributor.authorSCANLON, DAVIDen
dc.date.accessioned2010-04-29T15:19:13Z
dc.date.available2010-04-29T15:19:13Z
dc.date.issued2009en
dc.date.submitted2009en
dc.identifier.citationScanlon, DO, Morgan, BJ, Watson, GW, Walsh, A, Acceptor Levels in p-Type Cu2O: Rationalizing Theory and Experiment, PHYSICAL REVIEW LETTERS, 103, 2009, 096405en
dc.identifier.otherYen
dc.identifier.urihttp://hdl.handle.net/2262/39283
dc.descriptionPUBLISHEDen
dc.description.abstractUnderstanding conduction in Cu2O is vital to the optimization of Cu-based p-type transparent conducting oxides. Using a screened hybrid?density-functional approach we have investigated the formation of p-type defects in Cu2O giving rise to single-particle levels that are deep in the band gap, consistent with experimentally observed activated, polaronic conduction. Our calculated transition levels for simple and split copper vacancies explain the source of the two distinct hole states seen in DLTS experiments. The necessity of techniques that go beyond the present generalized-gradient- and local-density-approximation techniques for accurately describing p-type defects in Cu(I)-based oxides is discussed.en
dc.format.extent096405en
dc.language.isoenen
dc.relation.ispartofseriesPHYSICAL REVIEW LETTERSen
dc.relation.ispartofseries103en
dc.rightsYen
dc.subjectDFTen
dc.subjectcopper oxideen
dc.titleAcceptor Levels in p-Type Cu2O: Rationalizing Theory and Experimenten
dc.typeJournal Articleen
dc.contributor.sponsorScience Foundation Ireland (SFI)en
dc.type.supercollectionscholarly_publicationsen
dc.type.supercollectionrefereed_publicationsen
dc.identifier.peoplefinderurlhttp://people.tcd.ie/watsongen
dc.identifier.rssinternalid63514en
dc.identifier.rssurihttp://dx.doi.org/10.1103/PhysRevLett.103.096405en


Files in this item

Thumbnail

This item appears in the following Collection(s)

Show simple item record