Synthesis and characterization of the ternary nitride semiconductor Zn2VN3 : theoretical prediction, combinatorial screening, and epitaxial stabilization

Abstract

<div lang="en" class="abs"><p class="abs_header">Abstract</p><p>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.</p></div>