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Title: Lattice-constant and band-gap tuning in wurtzite and zincblende BInGaN alloys

Abstract

InGaN light-emitting diodes (LEDs) are more efficient and cost effective than incandescent and fluorescent lighting, but lattice mismatch limits the thickness of InGaN layers that can be grown on GaN without performance-degrading dislocations. Here, we apply hybrid density functional theory calculations to investigate the thermodynamic stability, lattice parameters, and bandgaps of wurtzite and zincblende quaternary BInGaN alloys. We discover that the wurtzite phase is more stable and can be lattice matched to GaN for BInGaN compositions containing up to ~30% boron. The lattice match with GaN decreases strain and enables thicker active layers that mitigate Auger recombination and increase the efficiency of the LEDs. The bandgap of the alloy remains tunable throughout the visible spectrum. Our results indicate that BInGaN alloys are promising alternatives to InGaN for high-efficiency, high-power LEDs.

Authors:
ORCiD logo [1]; ORCiD logo [1]; ORCiD logo [1]
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  1. Univ. of Michigan, Ann Arbor, MI (United States)
Publication Date:
Research Org.:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). National Energy Research Scientific Computing Center (NERSC); Univ. of California, Oakland, CA (United States)
Sponsoring Org.:
USDOE Office of Science (SC); National Science Foundation (NSF)
OSTI Identifier:
1577601
Alternate Identifier(s):
OSTI ID: 1545963
Grant/Contract Number:  
AC02-05CH11231
Resource Type:
Accepted Manuscript
Journal Name:
Journal of Applied Physics
Additional Journal Information:
Journal Volume: 126; Journal Issue: 5; Journal ID: ISSN 0021-8979
Publisher:
American Institute of Physics (AIP)
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE

Citation Formats

Greenman, Kevin, Williams, Logan, and Kioupakis, Emmanouil. Lattice-constant and band-gap tuning in wurtzite and zincblende BInGaN alloys. United States: N. p., 2019. Web. doi:10.1063/1.5108731.
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Greenman, Kevin, Williams, Logan, & Kioupakis, Emmanouil. Lattice-constant and band-gap tuning in wurtzite and zincblende BInGaN alloys. United States. https://doi.org/10.1063/1.5108731
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Greenman, Kevin, Williams, Logan, and Kioupakis, Emmanouil. Thu . "Lattice-constant and band-gap tuning in wurtzite and zincblende BInGaN alloys". United States. https://doi.org/10.1063/1.5108731. https://www.osti.gov/servlets/purl/1577601.
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@article{osti_1577601,
title = {Lattice-constant and band-gap tuning in wurtzite and zincblende BInGaN alloys},
author = {Greenman, Kevin and Williams, Logan and Kioupakis, Emmanouil},
abstractNote = {InGaN light-emitting diodes (LEDs) are more efficient and cost effective than incandescent and fluorescent lighting, but lattice mismatch limits the thickness of InGaN layers that can be grown on GaN without performance-degrading dislocations. Here, we apply hybrid density functional theory calculations to investigate the thermodynamic stability, lattice parameters, and bandgaps of wurtzite and zincblende quaternary BInGaN alloys. We discover that the wurtzite phase is more stable and can be lattice matched to GaN for BInGaN compositions containing up to ~30% boron. The lattice match with GaN decreases strain and enables thicker active layers that mitigate Auger recombination and increase the efficiency of the LEDs. The bandgap of the alloy remains tunable throughout the visible spectrum. Our results indicate that BInGaN alloys are promising alternatives to InGaN for high-efficiency, high-power LEDs.},
doi = {10.1063/1.5108731},
journal = {Journal of Applied Physics},
number = 5,
volume = 126,
place = {United States},
year = {2019},
month = {8}
}
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Journal Article:
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https://doi.org/10.1063/1.5108731
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Figures / Tables:

FIG. 1 FIG. 1: Thermodynamics of [(a) and (b)] wurtzite and [(c) and (d)] zincblende ByInxGa1 − x − yN alloys. (a) and (c) Calculated enthalpy of mixing per cation and (b) and (d) phase transition temperature as functions of composition. The enthalpy of mixing and the phase transition temperature increase asmore » the boron mole fraction increases.« less
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    Figures / Tables found in this record:

    FIG. 1 (p. 4)figure
    FIG. 2 (p. 5)figure
    TABLE I (p. 5)table
    TABLE II (p. 5)table
    FIG. 3 (p. 6)figure
    FIG. 4 (p. 6)figure
    FIG. 5 (p. 6)figure
    FIG. 6 (p. 7)figure
    FIG. 7 (p. 7)figure
    TABLE III (p. 8)table
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