Effect of sodium incorporation into CuInSe2 from first principles

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dc.contributorAalto-yliopistofi
dc.contributorAalto Universityen
dc.contributor.authorOikkonen, L. E.
dc.contributor.authorGanchenkova, M. G.
dc.contributor.authorSeitsonen, A. P.
dc.contributor.authorNieminen, Risto M.
dc.contributor.departmentTeknillisen fysiikan laitosfi
dc.contributor.departmentDepartment of Applied Physicsen
dc.contributor.schoolPerustieteiden korkeakoulufi
dc.contributor.schoolSchool of Scienceen
dc.date.accessioned2015-06-05T09:00:48Z
dc.date.available2015-06-05T09:00:48Z
dc.date.issued2013
dc.description.abstractThe presence of small amounts of sodium has been shown to improve the electronic performance of Cu(In,Ga)Se2 (CIGS) solar cells, but the origins of this effect have not yet been fully resolved. In this work, we have addressed the questions involving the role of sodium in CuInSe2 (CIS) using density-functional-theory-based calculations. We find no direct way how the creation of Na-related point defects in bulk CIS would enhance p-type conductivity. Instead, we demonstrate that Na reduces copper mass transport due to the capture of copper vacancies by NaCu defects. This finding provides an explanation for experimental measurements where the presence of Na has been observed to decrease copper diffusion. The suggested mechanism can also impede VCu -related cluster formation and lead to measurable effects on defect distribution within the material.en
dc.description.versionPeer revieweden
dc.format.extent083503/1-5
dc.format.mimetypeapplication/pdfen
dc.identifier.citationOikkonen, L. E. & Ganchenkova, M. G. & Seitsonen, A. P. & Nieminen, Risto M. 2013. Effect of sodium incorporation into CuInSe2 from first principles. Journal of Applied Physics. Volume 114, Issue 8. 083503/1-5. ISSN 0021-8979 (printed). DOI: 10.1063/1.4819105.en
dc.identifier.doi10.1063/1.4819105
dc.identifier.issn0021-8979 (printed)
dc.identifier.urihttps://aaltodoc.aalto.fi/handle/123456789/16526
dc.identifier.urnURN:NBN:fi:aalto-201506043165
dc.language.isoenen
dc.publisherAIP Publishingen
dc.relation.ispartofseriesJournal of Applied Physicsen
dc.relation.ispartofseriesVolume 114, Issue 8
dc.rights© 2013 American Institute of Physics. This is the accepted version of the following article: Oikkonen, L. E. & Ganchenkova, M. G. & Seitsonen, A. P. & Nieminen, Risto M. 2013. Effect of sodium incorporation into CuInSe2 from first principles. Journal of Applied Physics. Volume 114, Issue 8. 083503/1-5. ISSN 0021-8979 (printed). DOI: 10.1063/1.4819105, which has been published in final form at http://scitation.aip.org/content/aip/journal/jap/114/8/10.1063/1.4819105.en
dc.rights.holderAmerican Institute of Physics
dc.subject.keywordsodiumen
dc.subject.keywordCuInSe2en
dc.subject.keyworddensity-functional theoryen
dc.subject.otherPhysicsen
dc.titleEffect of sodium incorporation into CuInSe2 from first principlesen
dc.typeA1 Alkuperäisartikkeli tieteellisessä aikakauslehdessäfi
dc.type.dcmitypetexten
dc.type.versionFinal published versionen

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