期刊
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
卷 142, 期 18, 页码 8421-8430出版社
AMER CHEMICAL SOC
DOI: 10.1021/jacs.0c02092
关键词
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资金
- U.S. Department of Energy (DOE) [DE-AC36-08GO28308]
- DOE Office of Science, Basic Energy Sciences (BES), Materials Science and Engineering Division
- DOE-SC-BES [DE-AC02-76SF00515]
- BES, Energy Frontier Research Center Center for Next Generation of Materials Design: Incorporating Metastability
- DOE Office of Energy Efficiency and Renewable Energy
- Director's Fellowship within NREL's Laboratory-Directed Research and Development program
- DOE Office of Science, Office of Workforce Development for Teachers and Scientists under the Science Undergraduate Laboratory Internship program
- U.C. Berkeley Chancellor's Fellowship
- National Science Foundation Graduate Research Fellowship Program (NSF GFRP) [DGE 1106400, DGE 1752814]
- CoorsTek Fellowship in Advanced Ceramics
- NSF GFRP [1646713]
Nitride materials feature strong chemical bonding character that leads to unique crystal structures, but many ternary nitride chemical spaces remain experimentally unexplored. The search for previously undiscovered ternary nitrides is also an opportunity to explore unique materials properties, such as transitions between cation-ordered and -disordered structures, as well as to identify candidate materials for optoelectronic applications. Here, we present a comprehensive experimental study of MgSnN2 an emerging II-IV-N-2 compound, for the first time mapping phase composition and crystal structure, and examining its optoelectronic properties computationally and experimentally. We demonstrate combinatorial cosputtering of cation-disordered, wurtzite-type MgSnN2 across a range of cation compositions and temperatures, as well as the unexpected formation of a secondary, rocksalt-type phase of MgSnN2 at Mg-rich compositions and low temperatures. A computational structure search shows that the rocksalt-type phase is substantially metastable (>70 meV/atom) compared to the wurtzite-type ground state. Spectroscopic ellipsometry reveals optical absorption onsets around 2 eV, consistent with band gap tuning via cation disorder. Finally, we demonstrate epitaxial growth of a mixed wurtzite-rocksalt MgSnN2 on GaN, highlighting an opportunity for polymorphic control via epitaxy. Collectively, these findings lay the groundwork for further exploration of MgSnN2 as a model ternary nitride, with controlled polymorphism, and for device applications, enabled by control of optoelectronic properties via cation ordering.
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