Learning Centre

First-Principles Modeling of Point Defects and Complexes in Thin-Film Solar-Cell Absorber CuInSe2

 |  Login

Show simple item record

dc.contributor Aalto-yliopisto fi
dc.contributor Aalto University en
dc.contributor.author Malitckaya, Maria
dc.contributor.author Komsa, Hannu Pekka
dc.contributor.author Havu, Ville
dc.contributor.author Puska, Martti J.
dc.date.accessioned 2018-06-18T09:19:08Z
dc.date.available 2018-06-18T09:19:08Z
dc.date.issued 2017-06-01
dc.identifier.citation Malitckaya , M , Komsa , H P , Havu , V & Puska , M J 2017 , ' First-Principles Modeling of Point Defects and Complexes in Thin-Film Solar-Cell Absorber CuInSe2 ' , Advanced Electronic Materials , vol. 3 , no. 6 , 1600353 , pp. 1-9 . https://doi.org/10.1002/aelm.201600353 en
dc.identifier.issn 2199-160X
dc.identifier.other PURE UUID: 4d4f3a40-aef7-4f56-87ce-11843428a6f5
dc.identifier.other PURE ITEMURL: https://research.aalto.fi/en/publications/4d4f3a40-aef7-4f56-87ce-11843428a6f5
dc.identifier.other PURE LINK: http://www.scopus.com/inward/record.url?scp=85013640703&partnerID=8YFLogxK
dc.identifier.other PURE FILEURL: https://research.aalto.fi/files/21530622/aelm.201600353_R1_1.pdf
dc.identifier.uri https://aaltodoc.aalto.fi/handle/123456789/31902
dc.description | openaire: EC/H2020/641004/EU//Sharc25
dc.description.abstract Point defects and complexes may affect significantly physical, optical, and electrical properties of semiconductors. The Cu(In,Ga)Se2 alloy is an absorber material for low-cost thin-film solar cells. Several recently published computational investigations show contradicting results for important point defects such as copper antisite substituting indium (CuIn), indium vacancy (VIn), and complexes of point defects in CuInSe2. In the present work effects of the most important computational parameters are studied especially on the formation energies of point defects. Moreover, related to defect identification by the help of their calculated properties possible explanations are discussed for the three acceptors, occuring in photoluminescence measurements of Cu-rich samples. Finally, new insight into comparison between theoretical and experimental results is presented in the case of varying chemical potentials and of formation of secondary phases. en
dc.format.extent 1-9
dc.format.mimetype application/pdf
dc.language.iso en en
dc.relation info:eu-repo/grantAgreement/EC/H2020/641004/EU//Sharc25
dc.relation.ispartofseries Advanced Electronic Materials en
dc.relation.ispartofseries Volume 3, issue 6 en
dc.rights openAccess en
dc.title First-Principles Modeling of Point Defects and Complexes in Thin-Film Solar-Cell Absorber CuInSe2 en
dc.type A1 Alkuperäisartikkeli tieteellisessä aikakauslehdessä fi
dc.description.version Peer reviewed en
dc.contributor.department Department of Applied Physics
dc.subject.keyword CuInSe
dc.subject.keyword density functional theory
dc.subject.keyword native point defects
dc.subject.keyword solar cells
dc.identifier.urn URN:NBN:fi:aalto-201806183320
dc.identifier.doi 10.1002/aelm.201600353
dc.type.version acceptedVersion

Files in this item

Files Size Format View

There are no open access files associated with this item.

This item appears in the following Collection(s)

Show simple item record

Search archive

Advanced Search

article-iconSubmit a publication