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Title: Optical absorption of Fe in doped Ga2O3

Abstract

This study investigates the Fe impurities believed to act as deep acceptors that contribute to electrical compensation of the n-type conductivity in as-grown Ga2O3. A variation of the traditional optical absorption measurement, photoinduced electron paramagnetic resonance (EPR) spectroscopy, is used to identify charge transitions in bulk Fe-doped and Mg-doped Ga2O3 with the support of hybrid functional calculations. Steady-state photo-EPR measurements show that the first optically induced change in Fe3+ occurs at 1.2 eV, significantly larger than the calculated defect levels for Fe. However, the optical cross section spectrum determined from time-dependent photo-EPR measurements compare well with a calculated cross section spectrum for the Fe2+-to-Fe3+ transition when the relaxation energy predicted from the density functional theory is folded into the model. In conclusion, this work explicitly demonstrates the need for an accurate accounting of electron-lattice coupling when interpreting optically induced phenomena.

Authors:
ORCiD logo [1]; ORCiD logo [1];  [2]
  1. Univ. of Alabama at Birmingham, Birmingham, AL (United States)
  2. Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)
Publication Date:
Research Org.:
Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)
Sponsoring Org.:
USDOE National Nuclear Security Administration (NNSA)
OSTI Identifier:
1577937
Alternate Identifier(s):
OSTI ID: 1571833
Report Number(s):
LLNL-JRNL-798701
Journal ID: ISSN 0021-8979; 958413
Grant/Contract Number:  
AC52-07NA27344
Resource Type:
Accepted Manuscript
Journal Name:
Journal of Applied Physics
Additional Journal Information:
Journal Volume: 126; Journal Issue: 16; Journal ID: ISSN 0021-8979
Publisher:
American Institute of Physics (AIP)
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE

Citation Formats

Bhandari, Suman, Zvanut, M. E., and Varley, J. B. Optical absorption of Fe in doped Ga2O3. United States: N. p., 2019. Web. doi:10.1063/1.5124825.
Bhandari, Suman, Zvanut, M. E., & Varley, J. B. Optical absorption of Fe in doped Ga2O3. United States. doi:10.1063/1.5124825.
Bhandari, Suman, Zvanut, M. E., and Varley, J. B. Fri . "Optical absorption of Fe in doped Ga2O3". United States. doi:10.1063/1.5124825. https://www.osti.gov/servlets/purl/1577937.
@article{osti_1577937,
title = {Optical absorption of Fe in doped Ga2O3},
author = {Bhandari, Suman and Zvanut, M. E. and Varley, J. B.},
abstractNote = {This study investigates the Fe impurities believed to act as deep acceptors that contribute to electrical compensation of the n-type conductivity in as-grown Ga2O3. A variation of the traditional optical absorption measurement, photoinduced electron paramagnetic resonance (EPR) spectroscopy, is used to identify charge transitions in bulk Fe-doped and Mg-doped Ga2O3 with the support of hybrid functional calculations. Steady-state photo-EPR measurements show that the first optically induced change in Fe3+ occurs at 1.2 eV, significantly larger than the calculated defect levels for Fe. However, the optical cross section spectrum determined from time-dependent photo-EPR measurements compare well with a calculated cross section spectrum for the Fe2+-to-Fe3+ transition when the relaxation energy predicted from the density functional theory is folded into the model. In conclusion, this work explicitly demonstrates the need for an accurate accounting of electron-lattice coupling when interpreting optically induced phenomena.},
doi = {10.1063/1.5124825},
journal = {Journal of Applied Physics},
number = 16,
volume = 126,
place = {United States},
year = {2019},
month = {10}
}

Journal Article:
Free Publicly Available Full Text
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Citation Metrics:
Cited by: 6 works
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Figures / Tables:

Table I Table I: Calculated thermodynamic charge-state transition levels and relaxation energies associated with optical excitations for both FeGa defects. The transition levels are shown following the notation in the text with the corresponding transition level notation such as in Ref. 19 included in brackets. The vertical transition energies, shown as dashedmore » lines in Fig. 3, are obtained by combining the thermodynamic transition levels with the relaxation energies. Values for Etherm are shown in eV and referenced to the VBM (CBM).« less

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    Works referencing / citing this record:

    Deep donors and acceptors in β-Ga 2 O 3 crystals: Determination of the Fe 2+/3+ level by a noncontact method
    journal, December 2019

    • Lenyk, C. A.; Gustafson, T. D.; Halliburton, L. E.
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    Optical transitions for impurities in Ga 2 O 3 as determined by photo-induced electron paramagnetic resonance spectroscopy
    journal, February 2020

    • Bhandari, Suman; Zvanut, M. E.
    • Journal of Applied Physics, Vol. 127, Issue 6
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      Figures/Tables have been extracted from DOE-funded journal article accepted manuscripts.