A first-principles understanding of point defects and impurities in GaN
Abstract
Attaining control over the electrical conductivity of gallium nitride through impurity doping is one of the foremost achievements in semiconductor science. Yet, unwanted contaminants and point defects continue to limit device performance, and experimental techniques alone are insufficient for elucidating the behavior of these unintentionally incorporated species. Methodological advancements have made first-principles calculations more powerful than ever and capable of quantitative predictions, though care must still be taken in comparing results from theory and experiment. In this Tutorial, we explain the basic concepts that define the behavior of dopants, unintentional impurities, and point defects in GaN. We also describe how to interpret experimental results in the context of theoretical calculations and also discuss how the properties of defects and impurities vary in III-nitride alloys. Lastly, we examine how the physics of defects and impurities in GaN is relevant for understanding other wide-bandgap semiconductor materials, such as the II–IV-nitrides, boron nitride, and the transition metal nitrides.
- Authors:
-
[1];
[1];
[2]
- United States Naval Research Lab., Washington, DC (United States)
- Univ. of California, Santa Barbara, CA (United States)
- Publication Date:
- Research Org.:
- Univ. of California, Santa Barbara, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- OSTI Identifier:
- 1837822
- Alternate Identifier(s):
- OSTI ID: 1970546
- Grant/Contract Number:
- SC0010689; AC02-05CH11231
- Resource Type:
- Accepted Manuscript
- Journal Name:
- Journal of Applied Physics
- Additional Journal Information:
- Journal Volume: 129; Journal Issue: 11; Journal ID: ISSN 0021-8979
- Publisher:
- American Institute of Physics (AIP)
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 36 MATERIALS SCIENCE; first-principles calculations; nitride semiconductors; defects; crystallographic defects; doping; electrical conductivity; deep level transient spectroscopy; chemical bonding; photoluminescence; semiconductors; impurity levels; electronic band structure
Citation Formats
Lyons, John L., Wickramaratne, Darshana, and Van de Walle, Chris G. A first-principles understanding of point defects and impurities in GaN. United States: N. p., 2021.
Web. doi:10.1063/5.0041506.
Lyons, John L., Wickramaratne, Darshana, & Van de Walle, Chris G. A first-principles understanding of point defects and impurities in GaN. United States. https://doi.org/10.1063/5.0041506
Lyons, John L., Wickramaratne, Darshana, and Van de Walle, Chris G. Mon .
"A first-principles understanding of point defects and impurities in GaN". United States. https://doi.org/10.1063/5.0041506. https://www.osti.gov/servlets/purl/1837822.
@article{osti_1837822,
title = {A first-principles understanding of point defects and impurities in GaN},
author = {Lyons, John L. and Wickramaratne, Darshana and Van de Walle, Chris G.},
abstractNote = {Attaining control over the electrical conductivity of gallium nitride through impurity doping is one of the foremost achievements in semiconductor science. Yet, unwanted contaminants and point defects continue to limit device performance, and experimental techniques alone are insufficient for elucidating the behavior of these unintentionally incorporated species. Methodological advancements have made first-principles calculations more powerful than ever and capable of quantitative predictions, though care must still be taken in comparing results from theory and experiment. In this Tutorial, we explain the basic concepts that define the behavior of dopants, unintentional impurities, and point defects in GaN. We also describe how to interpret experimental results in the context of theoretical calculations and also discuss how the properties of defects and impurities vary in III-nitride alloys. Lastly, we examine how the physics of defects and impurities in GaN is relevant for understanding other wide-bandgap semiconductor materials, such as the II–IV-nitrides, boron nitride, and the transition metal nitrides.},
doi = {10.1063/5.0041506},
journal = {Journal of Applied Physics},
number = 11,
volume = 129,
place = {United States},
year = {Mon Mar 15 00:00:00 EDT 2021},
month = {Mon Mar 15 00:00:00 EDT 2021}
}
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