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Title: Optical absorption of Fe in doped Ga 2O 3

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 Ga 2O 3. 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 Ga 2O 3 with the support of hybrid functional calculations. Steady-state photo-EPR measurements show that the first optically induced change in Fe 3+ 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 Fe 2+-to-Fe 3+ 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.
@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}
}

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