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

Author:

Falk Hans H.1ORCID,Eckner Stefanie1,Seifert Michael2ORCID,Ritter Konrad1ORCID,Levcenko Sergiu1ORCID,Pfeiffelmann Timo1ORCID,Welter Edmund3ORCID,Botti Silvana2ORCID,Shafarman William N.4ORCID,Schnohr Claudia S.1ORCID

Affiliation:

1. Felix-Bloch-Institut für Festkörperphysik, Universität Leipzig 1 , Linnestraße 5, 04103 Leipzig, Germany

2. Institut für Festkörpertheorie und-optik, Friedrich-Schiller-Universität Jena 2 , Max-Wien-Platz 1, 07743 Jena, Germany

3. Deutsches Elektronen-Synchrotron DESY 3 , Notkestraße 85, 22607 Hamburg, Germany

4. Department of Materials Science & Engineering and Institute of Energy Conversion, University of Delaware 4 , Newark, Delaware 19716, USA

Abstract

Contrary 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.

Funder

Deutsche Forschungsgemeinschaft

Leibniz-Rechenzentrum

Deutsches Elektronen-Synchrotron

Publisher

AIP Publishing

Subject

General Engineering,General Materials Science

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