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Title: Thin Film Synthesis of Semiconductors in the Mg–Sb–N Materials System

Abstract

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 Mg 2SbN 3 nitride with a wurtzite-derived crystal structure, and synthesized the antimonide-nitride Mg 3SbN with an antiperovskite crystal structure for the first time in thin film form. Theoretical calculations indicate that Mg 2SbN 3 is metastable and has properties relevant to LEDs and MEMS, whereas Mg 3SbN has a large dielectric constant (28ε o) and low hole effective masses (0.9m o), of interest for photovoltaic solar cell absorbers. The experimental solar-matched 1.3 eV optical absorption onset of the Mg 3SbN antiperovskite agrees with the theoretical prediction (1.3 eV direct, 1.1 eV indirect), and with the measurements of room-temperature near-bandgap photoluminescence. Furthermore, these results make an important contribution towards understanding semiconductor properties and chemical trends in the Mg-Sb-N materials system,more » paving the way to future practical applications of these novel materials.« less

Authors:
ORCiD logo [1];  [1];  [1]; ORCiD logo [2]; ORCiD logo [1]
  1. National Renewable Energy Lab. (NREL), Golden, CO (United States)
  2. National Renewable Energy Lab. (NREL), Golden, CO (United States); Colorado School of Mines, 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) (SC-22); USDOE Office of Energy Efficiency and Renewable Energy (EERE), Solar Energy Technologies Office (EE-4S)
OSTI Identifier:
1570960
Report Number(s):
NREL/JA-5K00-74199
Journal ID: ISSN 0897-4756
Grant/Contract Number:  
AC36-08GO28308
Resource Type:
Accepted Manuscript
Journal Name:
Chemistry of Materials
Additional Journal Information:
Journal Name: Chemistry of Materials; Journal ID: ISSN 0897-4756
Publisher:
American Chemical Society (ACS)
Country of Publication:
United States
Language:
English
Subject:
14 SOLAR ENERGY; 36 MATERIALS SCIENCE; nitrides; antimonides; RF sputtering; combinatorial; antiperovskite

Citation Formats

Heinselman, Karen N., Lany, Stephan, Perkins, John D., Talley, Kevin R., and Zakutayev, Andriy. Thin Film Synthesis of Semiconductors in the Mg–Sb–N Materials System. United States: N. p., 2019. Web. doi:10.1021/acs.chemmater.9b02380.
Heinselman, Karen N., Lany, Stephan, Perkins, John D., Talley, Kevin R., & Zakutayev, Andriy. Thin Film Synthesis of Semiconductors in the Mg–Sb–N Materials System. United States. doi:10.1021/acs.chemmater.9b02380.
Heinselman, Karen N., Lany, Stephan, Perkins, John D., Talley, Kevin R., and Zakutayev, Andriy. Wed . "Thin Film Synthesis of Semiconductors in the Mg–Sb–N Materials System". United States. doi:10.1021/acs.chemmater.9b02380.
@article{osti_1570960,
title = {Thin Film Synthesis of Semiconductors in the Mg–Sb–N Materials System},
author = {Heinselman, Karen N. and Lany, Stephan and Perkins, John D. and Talley, Kevin R. and Zakutayev, Andriy},
abstractNote = {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 (28εo) and low hole effective masses (0.9mo), 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. Furthermore, these results make an important contribution towards understanding semiconductor properties and chemical trends in the Mg-Sb-N materials system, paving the way to future practical applications of these novel materials.},
doi = {10.1021/acs.chemmater.9b02380},
journal = {Chemistry of Materials},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {10}
}

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This content will become publicly available on October 2, 2020
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