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Computationally guided high-throughput synthesis is used to explore theZn-V-N phase space, resulting in the synthesis of a novel ternary nitrideZn$_2$VN$_3$. Following a combinatorial PVD screening, we isolate the phase andsynthesize polycrystalline Zn$_2$VN$_3$ thin films with wurtzite structure onconventional borosilicate glass substrates. In addition, we demonstrate thatcation-disordered, but phase-pure (002)-textured, Zn$_2$VN$_3$ thin films canbe grown using epitaxial stabilization on {\alpha}-Al2O3 (0001) substrates atremarkably low growth temperatures well below 200 {\deg}C. The structuralproperties and phase composition of the Zn$_2$VN$_3$ films are studied indetail using XRD and (S)TEM techniques. The composition as well as chemicalstate of the constituent elements are studied using RBS/ERDA as well asXPS/HAXPES methods. These analyses reveal a stoichiometric material with nooxygen contamination, besides a thin surface oxide. We find that Zn$_2$VN$_3$is a weakly-doped p-type semiconductor demonstrating broadband room-temperaturephotoluminescence spanning the range between 2 eV and 3 eV. In addition, theelectronic properties can be tuned over a wide range via isostructural alloyingon the cation site, making this a promising material for optoelectronicapplications.

chemistry of materials

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