Journal
CHEMISTRY OF MATERIALS
Volume 31, Issue 21, Pages 8717-8724Publisher
AMER CHEMICAL SOC
DOI: 10.1021/acs.chemmater.9b02380
Keywords
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Funding
- U.S. Department of Energy [DEAC36-08GO28308]
- Alliance for Sustainable Energy, LLC
- Office of Energy Efficiency and Renewable Energy (EERE), under Solar Energy Technologies Office (SETO) [30302]
- Office of Science, Basic Energy Sciences, as part of the Energy Frontier Research Center Center for Next Generation of Materials Design: Incorporating Metastability
- U.S. National Science Foundation [DMREF-1534503]
- DOE-EERE
- DOE-SC-BES [DE-AC02-76SF0051S]
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Nitrides feature many interesting properties, such as a wide range of bandgaps suitable for optoelectronic devices including light-emitting diodes (LEDs), and piezoelectric response used in microelectromechanical systems (MEMS). Nitrides are also significantly underexplored compared to oxides and other chemistries, with many being thermochemically metastable, sparking interest from a basic science point of view. This paper reports on experimental and computational exploration of the Mg-Sb-N material system, featuring both metastable materials and semiconducting properties. Using sputter deposition, we discovered a new Mg2SbN3 nitride with a wurtzite-derived crystal structure and synthesized the antimonide-nitride Mg3SbN with an antiperovskite crystal structure for the first time in thin film form. Theoretical calculations indicate that Mg2SbN3 is metastable and has properties relevant to LEDs and MEMS, whereas Mg3SbN has a large dielectric constant (28 epsilon(0)) and-knalole-effective masses-(0.9m(0)). of interest-for photovoltaic.solar cell absorbers.-The experimental solar-matched 1.3 eV optical absorption onset of the Mg3SbN antiperovskite agrees with the theoretical prediction (1.3 eV direct, 1.1 eV indirect), and with the measurements of room-temperature near-bandgap photoluminescence. These results make an important contribution toward understanding semiconductor properties and chemical trends in the Mg-Sb-N materials system, paving the way to future practical applications of these novel materials.
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