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Title: Ti- and Fe-related charge transition levels in $$β$$ – Ga2O3

Abstract

Here, deep-level transient spectroscopy measurements on $$β$$ – Ga2O3 crystals reveal the presence of three defect signatures labeled $$E$$2a, $$E$$2b, and $$E$$3 with activation energies at around 0.66 eV, 0.73 eV, and 0.95 eV below the conduction band edge. Using secondary ion mass spectrometry, a correlation between the defect concentration associated with $$E$$3 and the Ti concentration present in the samples was found. Particularly, it is found that $$E$$3 is the dominant Ti-related defect in $$β$$ – Ga2O3 and is associated with a single Ti atom. This finding is further corroborated by hybrid functional calculations that predict Ti substituting on an octahedral Ga site, denoted as TiGaII, to be a good candidate for $$E$$3. Moreover, the deep level transient spectroscopy results show that the level previously labeled $$E$$2 and attributed to Fe substituting on a gallium site (FeGa) consists of two overlapping signatures labeled E2a and E2b. We tentatively assign $$E$$2a and $$E$$2b to Fe substituting for Ga on a tetrahedral or an octahedral site, respectively.

Authors:
ORCiD logo [1]; ORCiD logo [1];  [2]; ORCiD logo [3]; ORCiD logo [4]; ORCiD logo [4]; ORCiD logo [5]; ORCiD logo [2];  [2]; ORCiD logo [1]
+ Show Author Affiliations
  1. Univ. of Oslo (Norway)
  2. Univ. of Pretoria (South Africa)
  3. Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)
  4. Leibniz Inst. for Crystal Growth (IKZ), Berlin (Germany)
  5. Aalto Univ. (Finland)
Publication Date:
Research Org.:
Lawrence Livermore National Laboratory (LLNL), Livermore, CA (United States)
Sponsoring Org.:
USDOE National Nuclear Security Administration (NNSA); USDOE Office of Energy Efficiency and Renewable Energy (EERE), Energy Efficiency Office. Advanced Manufacturing Office; Research Council of Norway
OSTI Identifier:
1668486
Alternate Identifier(s):
OSTI ID: 1600053
Report Number(s):
LLNL-JRNL-814518
Journal ID: ISSN 0003-6951; 1000610; TRN: US2203799
Grant/Contract Number:  
AC52-07NA27344; 251131
Resource Type:
Accepted Manuscript
Journal Name:
Applied Physics Letters
Additional Journal Information:
Journal Volume: 116; Journal Issue: 7; Journal ID: ISSN 0003-6951
Publisher:
American Institute of Physics (AIP)
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; oxides; hybrid density functional calculations

Citation Formats

Zimmermann, Christian, Frodason, Ymir Kalmann, Barnard, Abraham Willem, Varley, Joel Basile, Irmscher, Klaus, Galazka, Zbigniew, Karjalainen, Antti, Meyer, Walter Ernst, Auret, Francois Danie, and Vines, Lasse. Ti- and Fe-related charge transition levels in $β$ – Ga2O3. United States: N. p., 2020. Web. doi:10.1063/1.5139402.
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Zimmermann, Christian, Frodason, Ymir Kalmann, Barnard, Abraham Willem, Varley, Joel Basile, Irmscher, Klaus, Galazka, Zbigniew, Karjalainen, Antti, Meyer, Walter Ernst, Auret, Francois Danie, & Vines, Lasse. Ti- and Fe-related charge transition levels in $β$ – Ga2O3. United States. https://doi.org/10.1063/1.5139402
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Zimmermann, Christian, Frodason, Ymir Kalmann, Barnard, Abraham Willem, Varley, Joel Basile, Irmscher, Klaus, Galazka, Zbigniew, Karjalainen, Antti, Meyer, Walter Ernst, Auret, Francois Danie, and Vines, Lasse. Tue . "Ti- and Fe-related charge transition levels in $β$ – Ga2O3". United States. https://doi.org/10.1063/1.5139402. https://www.osti.gov/servlets/purl/1668486.
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@article{osti_1668486,
title = {Ti- and Fe-related charge transition levels in $β$ – Ga2O3},
author = {Zimmermann, Christian and Frodason, Ymir Kalmann and Barnard, Abraham Willem and Varley, Joel Basile and Irmscher, Klaus and Galazka, Zbigniew and Karjalainen, Antti and Meyer, Walter Ernst and Auret, Francois Danie and Vines, Lasse},
abstractNote = {Here, deep-level transient spectroscopy measurements on $β$ – Ga2O3 crystals reveal the presence of three defect signatures labeled $E$2a, $E$2b, and $E$3 with activation energies at around 0.66 eV, 0.73 eV, and 0.95 eV below the conduction band edge. Using secondary ion mass spectrometry, a correlation between the defect concentration associated with $E$3 and the Ti concentration present in the samples was found. Particularly, it is found that $E$3 is the dominant Ti-related defect in $β$ – Ga2O3 and is associated with a single Ti atom. This finding is further corroborated by hybrid functional calculations that predict Ti substituting on an octahedral Ga site, denoted as TiGaII, to be a good candidate for $E$3. Moreover, the deep level transient spectroscopy results show that the level previously labeled $E$2 and attributed to Fe substituting on a gallium site (FeGa) consists of two overlapping signatures labeled E2a and E2b. We tentatively assign $E$2a and $E$2b to Fe substituting for Ga on a tetrahedral or an octahedral site, respectively.},
doi = {10.1063/1.5139402},
journal = {Applied Physics Letters},
number = 7,
volume = 116,
place = {United States},
year = {2020},
month = {2}
}
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