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Combinatorial investigation of structural and optical properties of cation-disordered ZnGeN2

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Abstract

Cation-disordered ZnGeN2 shows promise for application as a blue-green emitter in light-emitting devices, but more foundational work is necessary to understand structure–property relationships. In this work, we present a combinatorial exploration of the experimental phase space of wurtzite (cation-disordered) ZnGeN2 using high-throughput co-sputtering. Structure, morphology and optical properties are explored as a function of cation composition and synthesis temperature. ZnGeN2 is found to crystallize in the wurtzite structure ranging from Zn-rich to Ge-rich compositions. X-ray diffraction refinements reveal a continuous shift in cell volume with off-stoichiometry, indicating alloy-like structural behavior. The optical absorption of all films examined is lower in energy than the value predicted for cation-ordered ZnGeN2, suggesting that cation disorder is decreasing the bandgap. Additionally, the absorption threshold shifts continuously to higher energy for Ge-rich samples, consistent with bandgap shifts due to alloy-like structural behavior. Defect formation energy diagrams are calculated to help guide understanding of off-stoichiometry from a defect complex perspective. This work paves the way toward use of ZnGeN2 as a bandgap-tunable optoelectronic semiconductor.

Graphical abstract: Combinatorial investigation of structural and optical properties of cation-disordered ZnGeN2

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Article information


Submitted
02 Apr 2020
Accepted
26 May 2020
First published
27 May 2020

J. Mater. Chem. C, 2020, Advance Article
Article type
Paper

Combinatorial investigation of structural and optical properties of cation-disordered ZnGeN2

C. L. Melamed, J. Pan, A. Mis, K. Heinselman, R. R. Schnepf, R. Woods-Robinson, J. J. Cordell, S. Lany, E. S. Toberer and A. C. Tamboli, J. Mater. Chem. C, 2020, Advance Article , DOI: 10.1039/D0TC01675F

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