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

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 optoelectronics 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 demonstrates 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 one-step adsorption-controlled growth, and a two-step deposition/annealing method that suppresses the loss of Zn and N. Measurements indicate that this sputtered Zn2NbN3 crystalizes in cation-disordered wurtzite-derived structure, in contrast to chemically related rocksalt-derived Mg2NbN3 compound, also synthesized here for comparison using the two-step method. The estimated wurtzite lattice parameter ratio of Zn2NbN3 is 1.55, and the optical absorption onset is at 2.1 eV. Both of these values are lower compared to published Zn2NbN3 computational values of c/a = 1.62 and Eg = 3.5 - 3.6 eV. Additional theoretical calculations indicate that this difference is due to cation disorder in experimental samples, suggesting a way to tune the structural parameters and the resulting properties of heterovalentmore » ternary nitride materials. Overall, this work expands the wurtzite family of nitride semiconductors to include Zn2NbN3, and suggests that related II2-V-N3 and other ternary nitrides should be possible to synthesize.« less

Authors:
ORCiD logo [1]
  1. National Renewable Energy Lab. (NREL), Golden, CO (United States)
Publication Date:
Research Org.:
National Renewable Energy Lab. (NREL), Golden, CO (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
OSTI Identifier:
1781616
Report Number(s):
NREL/JA-5K00-78771
Journal ID: ISSN 0953-8984; MainId:32688;UUID:5d012ea7-699f-41ce-bef4-60d0b03b27e0;MainAdminID:21243; TRN: US2209938
Grant/Contract Number:  
AC36-08GO28308
Resource Type:
Accepted Manuscript
Journal Name:
Journal of Physics. Condensed Matter
Additional Journal Information:
Journal Volume: 30; Journal Issue: 35; Journal ID: ISSN 0953-8984
Publisher:
IOP Publishing
Country of Publication:
United States
Language:
English
Subject:
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; nitride; semiconductor; sputtering

Citation Formats

Zakutayev, Andriy. Synthesis of Zn2NbN3 ternary nitride semiconductor with wurtzite-derived crystal structure. United States: N. p., 2021. Web. doi:10.1088/1361-648x/abfab3.
Zakutayev, Andriy. Synthesis of Zn2NbN3 ternary nitride semiconductor with wurtzite-derived crystal structure. United States. https://doi.org/10.1088/1361-648x/abfab3
Zakutayev, Andriy. Thu . "Synthesis of Zn2NbN3 ternary nitride semiconductor with wurtzite-derived crystal structure". United States. https://doi.org/10.1088/1361-648x/abfab3. https://www.osti.gov/servlets/purl/1781616.
@article{osti_1781616,
title = {Synthesis of Zn2NbN3 ternary nitride semiconductor with wurtzite-derived crystal structure},
author = {Zakutayev, Andriy},
abstractNote = {Binary III-N nitride semiconductors with wurtzite crystal structure such as GaN and AlN have been long used in many practical applications ranging from optoelectronics 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 demonstrates 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 one-step adsorption-controlled growth, and a two-step deposition/annealing method that suppresses the loss of Zn and N. Measurements indicate that this sputtered Zn2NbN3 crystalizes in cation-disordered wurtzite-derived structure, in contrast to chemically related rocksalt-derived Mg2NbN3 compound, also synthesized here for comparison using the two-step method. The estimated wurtzite lattice parameter ratio of Zn2NbN3 is 1.55, and the optical absorption onset is at 2.1 eV. Both of these values are lower compared to published Zn2NbN3 computational values of c/a = 1.62 and Eg = 3.5 - 3.6 eV. Additional theoretical calculations indicate that this difference is due to cation disorder in experimental samples, suggesting a way to tune the structural parameters and the resulting properties of heterovalent ternary nitride materials. Overall, this work expands the wurtzite family of nitride semiconductors to include Zn2NbN3, and suggests that related II2-V-N3 and other ternary nitrides should be possible to synthesize.},
doi = {10.1088/1361-648x/abfab3},
journal = {Journal of Physics. Condensed Matter},
number = 35,
volume = 30,
place = {United States},
year = {Thu Apr 22 00:00:00 EDT 2021},
month = {Thu Apr 22 00:00:00 EDT 2021}
}

Works referenced in this record:

Cation-Mutation Design of Quaternary Nitride Semiconductors Lattice-Matched to GaN
journal, November 2015


Semiconducting transition metal oxides
journal, June 2015


Ammonothermal Synthesis and Optical Properties of Ternary Nitride Semiconductors Mg-IV-N 2 , Mn-IV-N 2 and Li-IV 2 -N 3 (IV=Si, Ge)
journal, December 2017

  • Häusler, Jonas; Niklaus, Robin; Minár, Ján
  • Chemistry - A European Journal, Vol. 24, Issue 7
  • DOI: 10.1002/chem.201704973

An open experimental database for exploring inorganic materials
journal, April 2018

  • Zakutayev, Andriy; Wunder, Nick; Schwarting, Marcus
  • Scientific Data, Vol. 5, Issue 1
  • DOI: 10.1038/sdata.2018.53

Metal–Organic Chemical Vapor Deposition of ZnGeGa 2 N 4
journal, November 2019

  • Jayatunga, Benthara Hewage Dinushi; Karim, Md Rezaul; Lalk, Rebecca A.
  • Crystal Growth & Design, Vol. 20, Issue 1
  • DOI: 10.1021/acs.cgd.9b00995

Odyssey of Multivalent Cathode Materials: Open Questions and Future Challenges
journal, February 2017

  • Canepa, Pieremanuele; Sai Gautam, Gopalakrishnan; Hannah, Daniel C.
  • Chemical Reviews, Vol. 117, Issue 5
  • DOI: 10.1021/acs.chemrev.6b00614

Utilizing Site Disorder in the Development of New Energy-Relevant Semiconductors
journal, June 2020


Redox-Mediated Stabilization in Zinc Molybdenum Nitrides
journal, February 2018

  • Arca, Elisabetta; Lany, Stephan; Perkins, John D.
  • Journal of the American Chemical Society, Vol. 140, Issue 12
  • DOI: 10.1021/jacs.7b12861

AlScN: A III-V semiconductor based ferroelectric
journal, March 2019

  • Fichtner, Simon; Wolff, Niklas; Lofink, Fabian
  • Journal of Applied Physics, Vol. 125, Issue 11
  • DOI: 10.1063/1.5084945

Discovery of earth-abundant nitride semiconductors by computational screening and high-pressure synthesis
journal, June 2016

  • Hinuma, Yoyo; Hatakeyama, Taisuke; Kumagai, Yu
  • Nature Communications, Vol. 7, Issue 1
  • DOI: 10.1038/ncomms11962

Enhancement of Piezoelectric Response in Scandium Aluminum Nitride Alloy Thin Films Prepared by Dual Reactive Cosputtering
journal, December 2008

  • Akiyama, Morito; Kamohara, Toshihiro; Kano, Kazuhiko
  • Advanced Materials, Vol. 21, Issue 5
  • DOI: 10.1002/adma.200802611

Ternary nitride semiconductors in the rocksalt crystal structure
journal, July 2019

  • Bauers, Sage R.; Holder, Aaron; Sun, Wenhao
  • Proceedings of the National Academy of Sciences, Vol. 116, Issue 30
  • DOI: 10.1073/pnas.1904926116

Self-regulated growth and tunable properties of CuSbS2 solar absorbers
journal, January 2015


Composition, structure, and semiconducting properties of Mg x Zr 2− x N 2 thin films
journal, May 2019

  • Bauers, Sage R.; Hamann, Danielle M.; Patterson, Ashlea
  • Japanese Journal of Applied Physics, Vol. 58, Issue SC
  • DOI: 10.7567/1347-4065/ab0f0f

Commentary: The Materials Project: A materials genome approach to accelerating materials innovation
journal, July 2013

  • Jain, Anubhav; Ong, Shyue Ping; Hautier, Geoffroy
  • APL Materials, Vol. 1, Issue 1
  • DOI: 10.1063/1.4812323

Ammonothermal Synthesis, Optical Properties, and DFT Calculations of Mg 2 PN 3 and Zn 2 PN 3
journal, August 2018

  • Mallmann, Mathias; Maak, Christian; Niklaus, Robin
  • Chemistry - A European Journal, Vol. 24, Issue 52
  • DOI: 10.1002/chem.201803293

Non-equilibrium deposition of phase pure Cu 2 O thin films at reduced growth temperature
journal, February 2014

  • Subramaniyan, Archana; Perkins, John D.; O’Hayre, Ryan P.
  • APL Materials, Vol. 2, Issue 2
  • DOI: 10.1063/1.4865457

Thin Film Synthesis of Semiconductors in the Mg–Sb–N Materials System
journal, October 2019


Templated Growth of Metastable Polymorphs on Amorphous Substrates with Seed Layers
journal, January 2020


A review on recent status and challenges of yttria stabilized zirconia modification to lowering the temperature of solid oxide fuel cells operation
journal, October 2019

  • Zakaria, Zulfirdaus; Abu Hassan, Saiful Hasmady; Shaari, Norazuwana
  • International Journal of Energy Research, Vol. 44, Issue 2
  • DOI: 10.1002/er.4944

Quaternary Wurtzitic Nitrides in the System ZnGeN 2 –GaN: Powder Synthesis, Characterization, and Potentiality as a Photocatalyst
journal, November 2017

  • Suehiro, Takayuki; Tansho, Masataka; Shimizu, Tadashi
  • The Journal of Physical Chemistry C, Vol. 121, Issue 49
  • DOI: 10.1021/acs.jpcc.7b09135

COMBIgor: Data-Analysis Package for Combinatorial Materials Science
journal, May 2019

  • Talley, Kevin R.; Bauers, Sage R.; Melamed, Celeste L.
  • ACS Combinatorial Science, Vol. 21, Issue 7
  • DOI: 10.1021/acscombsci.9b00077

Compensation of native donor doping in ScN: Carrier concentration control and p -type ScN
journal, June 2017

  • Saha, Bivas; Garbrecht, Magnus; Perez-Taborda, Jaime A.
  • Applied Physics Letters, Vol. 110, Issue 25
  • DOI: 10.1063/1.4989530

ZnMgO epilayers and ZnO–ZnMgO quantum wells for optoelectronic applications in the blue and UV spectral region
journal, June 2004

  • Gruber, Th.; Kirchner, C.; Kling, R.
  • Applied Physics Letters, Vol. 84, Issue 26
  • DOI: 10.1063/1.1767273

Synthesis and Characterization of (Sn,Zn)O Alloys
journal, October 2016


Heteroepitaxial Integration of ZnGeN 2 on GaN Buffers Using Molecular Beam Epitaxy
journal, February 2020

  • Tellekamp, M. Brooks; Melamed, Celeste L.; Norman, Andrew G.
  • Crystal Growth & Design, Vol. 20, Issue 3
  • DOI: 10.1021/acs.cgd.9b01578

Kesterite Thin-Film Solar Cells: Advances in Materials Modelling of Cu2ZnSnS4
journal, March 2012

  • Walsh, Aron; Chen, Shiyou; Wei, Su-Huai
  • Advanced Energy Materials, Vol. 2, Issue 4
  • DOI: 10.1002/aenm.201100630

High-pressure synthesis of new compounds, ZnSiN2 and ZnGeN2 with distorted wurtzite structure
journal, January 1992

  • Endo, T.; Sato, Y.; Takizawa, H.
  • Journal of Materials Science Letters, Vol. 11, Issue 7
  • DOI: 10.1007/BF00728730

Growth of ZnSnN2 by Molecular Beam Epitaxy
journal, January 2014

  • Feldberg, N.; Aldous, J. D.; Stampe, P. A.
  • Journal of Electronic Materials, Vol. 43, Issue 4
  • DOI: 10.1007/s11664-013-2962-8

Strong piezoelectric response in stable TiZnN 2 , ZrZnN 2 , and HfZnN 2 found by ab initio high-throughput approach
journal, December 2016

  • Tholander, C.; Andersson, C. B. A.; Armiento, R.
  • Journal of Applied Physics, Vol. 120, Issue 22
  • DOI: 10.1063/1.4971248

Interplay between Composition, Electronic Structure, Disorder, and Doping due to Dual Sublattice Mixing in Nonequilibrium Synthesis of ZnSnN 2 :O
journal, January 2019

  • Pan, Jie; Cordell, Jacob; Tucker, Garritt J.
  • Advanced Materials, Vol. 31, Issue 11
  • DOI: 10.1002/adma.201807406

Growth and properties of epitaxial Ti 1− x Mg x N(001) layers
journal, November 2018

  • Wang, Baiwei; Kerdsongpanya, Sit; McGahay, Mary E.
  • Journal of Vacuum Science & Technology A, Vol. 36, Issue 6
  • DOI: 10.1116/1.5049957

Synthesis of ZnSnN 2 crystals via a high-pressure metathesis reaction : Synthesis of ZnSnN
journal, February 2016

  • Kawamura, F.; Yamada, N.; Imai, M.
  • Crystal Research and Technology, Vol. 51, Issue 3
  • DOI: 10.1002/crat.201500258

Combinatorial insights into doping control and transport properties of zinc tin nitride
journal, January 2015

  • Fioretti, Angela N.; Zakutayev, Andriy; Moutinho, Helio
  • Journal of Materials Chemistry C, Vol. 3, Issue 42
  • DOI: 10.1039/c5tc02663f

Interaction of Ga and As 2 Molecular Beams with GaAs Surfaces
journal, July 1968


Adsorption-controlled growth of Bi4Ti3O12 by reactive MBE
journal, June 1998

  • Theis, C. D.; Yeh, J.; Schlom, D. G.
  • Applied Physics Letters, Vol. 72, Issue 22
  • DOI: 10.1063/1.121468

Wurtzite-derived ternary I–III–O 2 semiconductors
journal, March 2015

  • Omata, Takahisa; Nagatani, Hiraku; Suzuki, Issei
  • Science and Technology of Advanced Materials, Vol. 16, Issue 2
  • DOI: 10.1088/1468-6996/16/2/024902

A map of the inorganic ternary metal nitrides
journal, June 2019