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arXiv · 2109.00365

Synthesis and Characterization of the Ternary Nitride Semiconductor Zn$_2$VN$_3$: Theoretical Prediction, Combinatorial Screening and Epitaxial Stabilization

Siarhei Zhuk·Andrey A. Kistanov·Simon C. Boehme·Noemie Ott·Fabio La Mattina·Michael Stiefel·Maksym V. Kovalenko·Sebastian Siol
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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 Zn$_2$VN$_3$. Following a combinatorial PVD screening, we isolate the phase and synthesize polycrystalline Zn$_2$VN$_3$ thin films with wurtzite structure on conventional borosilicate glass substrates. In addition, we demonstrate that cation-disordered, but phase-pure (002)-textured, Zn$_2$VN$_3$ 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 Zn$_2$VN$_3$ 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 as well as XPS/HAXPES methods. These analyses reveal a stoichiometric material with no oxygen contamination, besides a thin surface oxide. We find that Zn$_2$VN$_3$ is a weakly-doped p-type semiconductor demonstrating broadband room-temperature photoluminescence spanning the range between 2 eV 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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Siarhei Zhuk, Andrey A. Kistanov, Simon C. Boehme, Noemie Ott, Fabio La Mattina, Michael Stiefel, Maksym V. Kovalenko, Sebastian Siol. 2021-11-25. Synthesis and Characterization of the Ternary Nitride Semiconductor Zn$_2$VN$_3$: Theoretical Prediction, Combinatorial Screening and Epitaxial Stabilization. https://doi.org/10.1021/acs.chemmater.1c03025

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