Synthesis and characterization of the ternary nitride semiconductor Zn2VN3 : theoretical prediction, combinatorial screening, and epitaxial stabilization
Zhuk, Siarhei; Kistanov, Andrey A.; Boehme, Simon C.; Ott, Noémie; La Mattina, Fabio; Stiefel, Michael; Kovalenko, Maksym V.; Siol, Sebastian (2021-11-23)
Chem. Mater. 2021, 33, 23, 9306–9316 Publication Date:November 23, 2021 https://doi.org/10.1021/acs.chemmater.1c03025
This document is the Accepted Manuscript version of a Published Work that appeared in final form in Chemistry of Materials, copyright © American Chemical Society after peer review and technical editing by the publisher. To access the final edited and published work see https://doi.org/10.1021/acs.chemmater.1c03025
https://rightsstatements.org/vocab/InC/1.0/
https://urn.fi/URN:NBN:fi-fe2022083156905
Tiivistelmä
Abstract
Computationally guided high-throughput synthesis is used to explore the Zn–V–N phase space, resulting in the synthesis of a novel ternary nitride Zn₂VN₃. Following a combinatorial PVD screening, we isolate the phase and synthesize polycrystalline Zn₂thin films with wurtzite structure on conventional borosilicate glass substrates. In addition, we demonstrate that cation-disordered, but phase-pure (002)-textured, Zn₂VN₃ thin films can be grown using epitaxial stabilization on α-Al2O3 (0001) substrates at remarkably low growth temperatures well below 200 °C. The structural properties and phase composition of the Zn₂VN₃ films are studied in detail using XRD and (S)TEM techniques. The composition as well as chemical state of the constituent elements are studied using RBS/ERDA and XPS/HAXPES methods. These analyses reveal a stoichiometric material with no oxygen contamination, besides a thin surface oxide. We find that Zn₂VN₃ is a weakly doped p-type semiconductor demonstrating broad-band room-temperature photoluminescence spanning the range between 2 and 3 eV. In addition, the electronic properties can be tuned over a wide range via isostructural alloying on the cation site, making this a promising material for optoelectronic applications.
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