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Title: Composition, structure, and semiconducting properties of MgxZr2–xN2 thin films

Abstract

Synthesis and characterization of MgxZr2–xN2 (0.5 ≤ x ≤ 1.8) thin films deposited by reactive magnetron co-sputtering in nitrogen plasma is reported. Composition measurements show that nitrides with low oxygen content (less than 1%) can be formed up to x = 1.0, at which point an increase in oxygen content is observed. Up to composition of x > 1.6 the MgxZr2–xN2 thin films form in a rocksalt-derived crystal structure, as revealed by X-ray diffraction measurements. At x > 1.6 the films rapidly oxidize. The lattice constant of the stoichiometric MgZrN2 composition is a = 4.537 Å, and only small changes in lattice parameter are observed with changing composition. Electrical conductivity decreases by several orders of magnitude with increasing Mg-content. The conductivity of Mg-rich (x ≥ 1) films increases with increasing measurement temperature, indicating semiconducting character of Mg-rich MgxZr2–xN2. As a result, optical absorption measurements of these Mg-rich samples show a clear absorption onset at 1.8 eV, also indicative of semiconducting behavior.

Authors:
 [1];  [2];  [1];  [1];  [3]; ORCiD logo [1]
  1. National Renewable Energy Lab. (NREL), Golden, CO (United States)
  2. Univ. of Oregon, Eugene, OR (United States)
  3. Colorado School of Mines, Golden, CO (United States)
Publication Date:
Research Org.:
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)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
OSTI Identifier:
1518590
Report Number(s):
NREL/JA-5K00-73502
Journal ID: ISSN 0021-4922
Grant/Contract Number:  
AC36-08GO28308
Resource Type:
Accepted Manuscript
Journal Name:
Japanese Journal of Applied Physics
Additional Journal Information:
Journal Volume: 58; Journal Issue: SC; Journal ID: ISSN 0021-4922
Publisher:
Japan Society of Applied Physics
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; 71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS; electronic materials; nitride semiconductors; thin films

Citation Formats

Bauers, Sage R., Hamann, Danielle M., Patterson, Ashlea, Perkins, John D., Talley, Kevin R., and Zakutayev, Andriy. Composition, structure, and semiconducting properties of MgxZr2–xN2 thin films. United States: N. p., 2019. Web. https://doi.org/10.7567/1347-4065/ab0f0f.
Bauers, Sage R., Hamann, Danielle M., Patterson, Ashlea, Perkins, John D., Talley, Kevin R., & Zakutayev, Andriy. Composition, structure, and semiconducting properties of MgxZr2–xN2 thin films. United States. https://doi.org/10.7567/1347-4065/ab0f0f
Bauers, Sage R., Hamann, Danielle M., Patterson, Ashlea, Perkins, John D., Talley, Kevin R., and Zakutayev, Andriy. Fri . "Composition, structure, and semiconducting properties of MgxZr2–xN2 thin films". United States. https://doi.org/10.7567/1347-4065/ab0f0f. https://www.osti.gov/servlets/purl/1518590.
@article{osti_1518590,
title = {Composition, structure, and semiconducting properties of MgxZr2–xN2 thin films},
author = {Bauers, Sage R. and Hamann, Danielle M. and Patterson, Ashlea and Perkins, John D. and Talley, Kevin R. and Zakutayev, Andriy},
abstractNote = {Synthesis and characterization of MgxZr2–xN2 (0.5 ≤ x ≤ 1.8) thin films deposited by reactive magnetron co-sputtering in nitrogen plasma is reported. Composition measurements show that nitrides with low oxygen content (less than 1%) can be formed up to x = 1.0, at which point an increase in oxygen content is observed. Up to composition of x > 1.6 the MgxZr2–xN2 thin films form in a rocksalt-derived crystal structure, as revealed by X-ray diffraction measurements. At x > 1.6 the films rapidly oxidize. The lattice constant of the stoichiometric MgZrN2 composition is a = 4.537 Å, and only small changes in lattice parameter are observed with changing composition. Electrical conductivity decreases by several orders of magnitude with increasing Mg-content. The conductivity of Mg-rich (x ≥ 1) films increases with increasing measurement temperature, indicating semiconducting character of Mg-rich MgxZr2–xN2. As a result, optical absorption measurements of these Mg-rich samples show a clear absorption onset at 1.8 eV, also indicative of semiconducting behavior.},
doi = {10.7567/1347-4065/ab0f0f},
journal = {Japanese Journal of Applied Physics},
number = SC,
volume = 58,
place = {United States},
year = {2019},
month = {5}
}

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