Peculiar bond length dependence in (Ag,Cu)GaSe2 alloys and its impact on the bandgap bowing

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dc.contributor.authorFalk, Hans H.
dc.contributor.authorEckner, Stefanie
dc.contributor.authorSeifert, Michael
dc.contributor.authorRitter, Konrad
dc.contributor.authorLevcenko, Sergiu
dc.contributor.authorPfeiffelmann, Timo
dc.contributor.authorWelter, Edmund
dc.contributor.authorBotti, Silvana
dc.contributor.authorShafarman, William N.
dc.contributor.authorSchnohr, Claudia S.
dc.date.accessioned2024-02-08T21:22:28Z
dc.date.available2024-02-08T21:22:28Z
dc.date.issued2023-11-02
dc.descriptionThis article was originally published in APL Materials. The version of record is available at: https://doi.org/10.1063/5.0164407. © Author(s) 2023
dc.description.abstractContrary to other semiconductor alloys, incorporation of Ag into CuGaSe2 increases the bandgap, even though the lattice expands, and the Ga–Se bond length is theoretically predicted to decrease rather than increase. Herein, we experimentally confirm this peculiar bond length dependence of (Ag,Cu)GaSe2 using x-ray absorption spectroscopy. We further model the different anion displacements and estimate that their combined contribution to the bandgap bowing is close to zero. These findings differ from those for Cu(In,Ga)Se2 and demonstrate the diversity of chalcopyrite alloys and their properties.
dc.description.sponsorshipWe acknowledge DESY (Hamburg, Germany), a member of the Helmholtz Association HGF, for the provision of experimental facilities. Parts of this research were carried out at beamline P65 of PETRA III under Proposal No. I-20191306, and we thank Morgane Desmau, Eva M. Zollner, and Richard Schenk for their valuable support during the measurements. This work was further supported by the Deutsche Forschungsgemeinschaft (DFG, German Research Foundation) under Project Nos. BO 4280/9-1, BO 4280/9-2, and SCHN 1283/5-1 within the Research Unit FOR 2857. The computational resources were provided by the Leibniz Supercomputing Centre on SuperMUC (Project No. pn68le).
dc.identifier.citationHans H. Falk, Stefanie Eckner, Michael Seifert, Konrad Ritter, Sergiu Levcenko, Timo Pfeiffelmann, Edmund Welter, Silvana Botti, William N. Shafarman, Claudia S. Schnohr; Peculiar bond length dependence in (Ag,Cu)GaSe2 alloys and its impact on the bandgap bowing. APL Mater. 1 November 2023; 11 (11): 111105. https://doi.org/10.1063/5.0164407
dc.identifier.issn2166-532X
dc.identifier.urihttps://udspace.udel.edu/handle/19716/33963
dc.language.isoen_US
dc.publisherAPL Materials
dc.rightsAttribution 4.0 Internationalen
dc.rights.urihttp://creativecommons.org/licenses/by/4.0/
dc.titlePeculiar bond length dependence in (Ag,Cu)GaSe2 alloys and its impact on the bandgap bowing
dc.typeArticle

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