Zn2SbN 3

Arca, Elisabetta; Perkins, John D; Lany, Stephan; Mis, Allison; Chen, Bor-Rong; Dippo, Patricia C; Partridge, Jonathan; Sun, Wenhao; Holder, Aaron M; Tamboli, Adele C; Toney, Michael F.; Schelhas, Laura T.; Ceder, Gerbrand; Tumas, William; Teeter, Glenn R; Zakutayev, Andriy A

doi:10.1039/C9MH00369J

Title: Zn₂SbN ₃

Journal Article · Wed May 01 00:00:00 EDT 2019 · Materials Horizons

DOI:https://doi.org/10.1039/C9MH00369J· OSTI ID:1514848

Arca, Elisabetta ^[1]; Perkins, John D ^[1];

^[1]; Mis, Allison ^[2]; Chen, Bor-Rong ^[3]; Dippo, Patricia C ^[1];

^[4]; Sun, Wenhao ^[5]; Holder, Aaron M ^[6]; Tamboli, Adele C ^[1]; Toney, Michael F. ^[3]; Schelhas, Laura T. ^[3]; Ceder, Gerbrand ^[7]; Tumas, William ^[1]; Teeter, Glenn R ^[1];

^[1]

National Renewable Energy Lab. (NREL), Golden, CO (United States)
National Renewable Energy Lab. (NREL), Golden, CO (United States); Colorado School of Mines, Golden, CO (United States)
SLAC National Accelerator Lab., Menlo Park, CA (United States)
National Renewable Energy Lab. (NREL), Golden, CO (United States); Univ. of Texas, Austin, TX (United States)
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)
National Renewable Energy Lab. (NREL), Golden, CO (United States); Univ. of Colorado, Boulder, CO (United States)
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States); Univ. of California, Berkeley, CA (United States)

© 2019 The Royal Society of Chemistry. Ternary nitride semiconductors with wurtzite-derived crystal structures are an emerging class of materials for optoelectronic applications compatible with GaN and related III-V compounds. In particular, II-IV-V2 materials such as ZnSnN2 and ZnGeN2 have been very actively studied for applications in photovoltaics and light emitting devices. However, many other possible wurtzite-derived ternary nitrides have not been reported, and hence their optical and electrical properties remain unknown. Here, we report on Zn2SbN3-the first Sb-based nitride and a photoactive semiconductor. Surprisingly, Zn2SbN3 contains Sb in the highest (5+) oxidation state, and in the unusual tetrahedral coordination. This new Zn2SbN3 material has a solar-matched 1.6-1.7 eV band gap and shows near-band-edge room-temperature photoluminescence, demonstrating its promise as an optoelectronic semiconductor. Finally, Zn2SbN3 can be synthesized at low temperature under a wide range of processing conditions, despite being metastable according to theoretical calculations. All these results, as well as the band position measurements, indicate that Zn2SbN3 is a promising emerging semiconductor for applications as an absorber in photovoltaic-and photoelectrochemical solar cells.

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Research Organization:: Energy Frontier Research Centers (EFRC) (United States). Center for Next Generation of Materials by Design: Incorporating Metastability (CNGMD); National Renewable Energy Lab. (NREL), Golden, CO (United States); Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)

Sponsoring Organization:: USDOE Office of Energy Efficiency and Renewable Energy (EERE); USDOE Office of Science (SC), Basic Energy Sciences (BES)

Grant/Contract Number:: AC36-08GO28308; AC02-76SF00515; AC02-05CH11231

OSTI ID:: 1514848

Alternate ID(s):: OSTI ID: 1511066; OSTI ID: 1769306

Report Number(s):: NREL/JA-5K00-73276; MHAOAL

Journal Information:: Materials Horizons, Vol. 6, Issue 8; ISSN 2051-6347

Publisher:: Royal Society of ChemistryCopyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 23 works

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Wurtzite materials in alloys of rock salt compounds Han, Yanbing; Millican, Samantha L.; Liu, Jun Journal of Materials Research, Vol. 35, Issue 8 https://doi.org/10.1557/jmr.2019.402	journal	January 2020

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