Synthesis of Zn2NbN3 ternary nitride semiconductor with wurtzite-derived crystal structure

TL;DR

This paper reports the synthesis and characterization of a new ternary nitride semiconductor, Zn2NbN3, with a wurtzite-derived structure, expanding the family of nitride semiconductors and demonstrating feasible synthesis methods.

Contribution

It introduces the first synthesis of Zn2NbN3 with a wurtzite-derived structure, using novel growth techniques, and compares its properties with related compounds.

Findings

Zn2NbN3 crystallizes in a wurtzite-derived structure.

The optical absorption onset is at 2.1 eV.

Comparison with computational predictions suggests potential for other ternary nitrides.

Abstract

Binary III-N nitride semiconductors with wurtzite crystal structure such as GaN and AlN have been long used in many practical applications ranging from optoelectronic to telecommunication. The structurally related ZnGeN2 or ZnSnN2 derived from the parent binary compounds by cation mutation (elemental substitution) have recently attracted attention, but such ternary nitride materials are mostly limited to II-IV-N2 compositions. This paper reports on synthesis and characterization of zinc niobium nitride Zn2NbN3 - a previously unreported II2-V-N3 ternary nitride semiconductor. The Zn2NbN3 thin films are synthesized using a single-step adsorption-controlled growth, and a two-step deposition/annealing method that prevents loss of Zn and N. Measurements indicate that Zn2NbN3 crystalizes in wurtzite-derived structure, in contrast to chemically related rocksalt-derived Mg2NbN3 compound synthesized here for comparison using the two-step method. The estimated wurtzite lattice parameters are a = 3.36A and c = 5.26A, (c/a = 1.55), and the optical absorption onset is at 2.1 eV for this cation-disordered Zn2NbN3. For comparison, published computational studies predict cation-ordered Zn2NbN3 to be a semiconductor with effective wurtzite c/a = 1.62 and a band gap of 3.5 - 3.6 eV. Overall, this work expands the wurtzite family of nitride semiconductors, and suggests that other ternary nitrides should be possible to synthesize