paper

Synthesis and Characterization of the Ternary Nitride Semiconductor ZnVN: Theoretical Prediction, Combinatorial Screening and Epitaxial Stabilization

arXiv:2109.00365 · doi:10.1021/acs.chemmater.1c03025

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 ZnVN. Following a combinatorial PVD screening, we isolate the phase and synthesize polycrystalline ZnVN thin films with wurtzite structure on conventional borosilicate glass substrates. In addition, we demonstrate that cation-disordered, but phase-pure (002)-textured, ZnVN 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 ZnVN 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 ZnVN 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.

The final version of the manuscript was published in Chemistry of Materials, November 2021. The final version of the manuscript as well as the SI documents are available at the publishers website

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