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

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.

arXiv commentThe 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

References in corpus (8)

• A Map of the Inorganic Ternary Metal Nitrides
• Bayesian optimization for tuning and selecting hybrid-density functionals
• Combinatorial Insights into Doping Control and Transport Properties of Zinc Tin Nitride
• Advanced chemical state studies of oxide films by lab-based HAXPES combining soft and hard X-ray sources
• First-Principles Prediction of Two-Dimensional B3C2P3 and B2C4P2: Structural Stability, Fundamental Properties, and Renewable Energy Applications
• Blue-Green Emission from Epitaxial Yet Cation-Disordered ZnGeN${}_{2-x}$O${}_x$
• Synthesis of Zn2NbN3 ternary nitride semiconductor with wurtzite-derived crystal structure
• A combinatorial guide to phase formation and surface passivation of tungsten titanium oxide prepared by thermal oxidation

Cited by in corpus (5)

• Combinatorial Reactive Sputtering with Auger Parameter Analysis Enables Synthesis of Wurtzite Zn2TaN3
• Bulk and film synthesis pathways to ternary magnesium tungsten nitrides
• Chemical state analysis of reactively sputtered zinc vanadium nitride: The Auger parameter as a tool in materials design
• Prediction and Characterization of Two-Dimensional Zn2VN3
• GdWN${}_3$ is a Nitride Perovskite