Search Menu
DOE PAGES title logo U.S. Department of Energy
Office of Scientific and Technical Information
Search Scholarly Publications

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.
Copy to clipboard
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
Copy to clipboard
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.
Copy to clipboard
@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 = {Tue Feb 18 00:00:00 EST 2020},
month = {Tue Feb 18 00:00:00 EST 2020}
}
Copy to clipboard
Journal Article:
Free Publicly Available Full Text
Publisher's Version of Record
https://doi.org/10.1063/1.5139402
Copyright Statement
Other availability
Search WorldCat Search WorldCat to find libraries that may hold this journal
Citation Metrics:
Cited by: 30 works
Citation information provided by
Web of Science
Save / Share:
Export Metadata
Save to My Library
You must Sign In or Create an Account in order to save documents to your library.

Works referenced in this record:

Floating zone growth of β-Ga2O3: a new window material for optoelectronic device applications
journal, February 2001

Iron and intrinsic deep level states in Ga 2 O 3
journal, January 2018

  • Ingebrigtsen, M. E.; Varley, J. B.; Kuznetsov, A. Yu.
  • Applied Physics Letters, Vol. 112, Issue 4
  • DOI: 10.1063/1.5020134

Impact of proton irradiation on conductivity and deep level defects in β-Ga 2 O 3
journal, February 2019

  • Ingebrigtsen, M. E.; Kuznetsov, A. Yu.; Svensson, B. G.
  • APL Materials, Vol. 7, Issue 2
  • DOI: 10.1063/1.5054826

Czochralski growth and characterization of β-Ga2O3 single crystals
journal, August 2010

  • Galazka, Z.; Uecker, R.; Irmscher, K.
  • Crystal Research and Technology, Vol. 45, Issue 12
  • DOI: 10.1002/crat.201000341

Annealing Induced Interfacial Evolution of Titanium/Gold Metallization on Unintentionally Doped β -Ga 2 O 3
journal, January 2019

  • Lee, Ming-Hsun; Peterson, Rebecca L.
  • ECS Journal of Solid State Science and Technology, Vol. 8, Issue 7
  • DOI: 10.1149/2.0321907jss

Interfacial reactions of titanium/gold ohmic contacts with Sn-doped β-Ga 2 O 3
journal, February 2019

  • Lee, Ming-Hsun; Peterson, Rebecca L.
  • APL Materials, Vol. 7, Issue 2
  • DOI: 10.1063/1.5054624

Giant titanium electron wave function in gallium oxide: A potential electron-nuclear spin system for quantum information processing
journal, November 2010

  • Mentink-Vigier, Frédéric; Binet, Laurent; Vignoles, Gerard
  • Physical Review B, Vol. 82, Issue 18
  • DOI: 10.1103/PhysRevB.82.184414

Perspective—Opportunities and Future Directions for Ga 2 O 3
journal, January 2017

  • Mastro, Michael A.; Kuramata, Akito; Calkins, Jacob
  • ECS Journal of Solid State Science and Technology, Vol. 6, Issue 5
  • DOI: 10.1149/2.0031707jss

Projector augmented-wave method
journal, December 1994

Defects responsible for charge carrier removal and correlation with deep level introduction in irradiated β-Ga 2 O 3
journal, August 2018

  • Polyakov, A. Y.; Smirnov, N. B.; Shchemerov, I. V.
  • Applied Physics Letters, Vol. 113, Issue 9
  • DOI: 10.1063/1.5049130

Deep level defects in Ge-doped (010) β-Ga 2 O 3 layers grown by plasma-assisted molecular beam epitaxy
journal, April 2018

  • Farzana, Esmat; Ahmadi, Elaheh; Speck, James S.
  • Journal of Applied Physics, Vol. 123, Issue 16
  • DOI: 10.1063/1.5010608

Relation between Electron Band Structure and Magnetic Bistability of Conduction Electrons in β-Ga2O3
journal, December 1994

  • Binet, L.; Gourier, D.; Minot, C.
  • Journal of Solid State Chemistry, Vol. 113, Issue 2
  • DOI: 10.1006/jssc.1994.1390

Recent progress in Ga 2 O 3 power devices
journal, January 2016

  • Higashiwaki, Masataka; Sasaki, Kohei; Murakami, Hisashi
  • Semiconductor Science and Technology, Vol. 31, Issue 3
  • DOI: 10.1088/0268-1242/31/3/034001

Influence of the exchange screening parameter on the performance of screened hybrid functionals
journal, December 2006

  • Krukau, Aliaksandr V.; Vydrov, Oleg A.; Izmaylov, Artur F.
  • The Journal of Chemical Physics, Vol. 125, Issue 22
  • DOI: 10.1063/1.2404663

Hole traps and persistent photocapacitance in proton irradiated β-Ga 2 O 3 films doped with Si
journal, September 2018

  • Polyakov, A. Y.; Smirnov, N. B.; Shchemerov, I. V.
  • APL Materials, Vol. 6, Issue 9
  • DOI: 10.1063/1.5042646

A review of Ga 2 O 3 materials, processing, and devices
journal, March 2018

  • Pearton, S. J.; Yang, Jiancheng; Cary, Patrick H.
  • Applied Physics Reviews, Vol. 5, Issue 1
  • DOI: 10.1063/1.5006941

Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set
journal, October 1996

Fully Ab Initio Finite-Size Corrections for Charged-Defect Supercell Calculations
journal, January 2009

β -Ga 2 O 3 for wide-bandgap electronics and optoelectronics
journal, October 2018

From ultrasoft pseudopotentials to the projector augmented-wave method
journal, January 1999

Deep ultraviolet photodiodes based on β-Ga 2 O 3 /SiC heterojunction
journal, August 2013

  • Nakagomi, Shinji; Momo, Toshihiro; Takahashi, Syuhei
  • Applied Physics Letters, Vol. 103, Issue 7
  • DOI: 10.1063/1.4818620

Overlapping electron traps in n ‐type silicon studied by capacitance transient spectroscopy
journal, August 1989

  • Svensson, B. G.; Rydén, K. ‐H.; Lewerentz, B. M. S.
  • Journal of Applied Physics, Vol. 66, Issue 4
  • DOI: 10.1063/1.344389

First-principles calculations for point defects in solids
journal, March 2014

  • Freysoldt, Christoph; Grabowski, Blazej; Hickel, Tilmann
  • Reviews of Modern Physics, Vol. 86, Issue 1
  • DOI: 10.1103/RevModPhys.86.253

Deep ultraviolet photodiodes based on the β-Ga2O3/GaN heterojunction
journal, August 2015

  • Nakagomi, Shinji; Sato, Taka-aki; Takahashi, Yusuke
  • Sensors and Actuators A: Physical, Vol. 232
  • DOI: 10.1016/j.sna.2015.06.011

Trapping Effects in Si -Doped -Ga 2 O 3 MESFETs on an Fe-Doped -Ga 2 O 3 Substrate
journal, July 2018

  • Mcglone, Joe F.; Xia, Zhanbo; Zhang, Yuewei
  • IEEE Electron Device Letters, Vol. 39, Issue 7
  • DOI: 10.1109/LED.2018.2843344

Scaling-Up of Bulk β-Ga 2 O 3 Single Crystals by the Czochralski Method
journal, September 2016

  • Galazka, Zbigniew; Uecker, Reinhard; Klimm, Detlef
  • ECS Journal of Solid State Science and Technology, Vol. 6, Issue 2
  • DOI: 10.1149/2.0021702jss

First-principles theory of nonradiative carrier capture via multiphonon emission
journal, August 2014

Electrostatics-based finite-size corrections for first-principles point defect calculations
journal, May 2014

Identification of critical buffer traps in Si δ-doped β-Ga 2 O 3 MESFETs
journal, October 2019

  • McGlone, Joe F.; Xia, Zhanbo; Joishi, Chandan
  • Applied Physics Letters, Vol. 115, Issue 15
  • DOI: 10.1063/1.5118250

On the bulk β-Ga2O3 single crystals grown by the Czochralski method
journal, October 2014

Laplace transform deep‐level transient spectroscopic studies of defects in semiconductors
journal, July 1994

  • Dobaczewski, L.; Kaczor, P.; Hawkins, I. D.
  • Journal of Applied Physics, Vol. 76, Issue 1
  • DOI: 10.1063/1.357126

Experimental electronic structure of In 2 O 3 and Ga 2 O 3
journal, August 2011

Electronic structure and optical property of metal-doped Ga 2 O 3 : a first principles study
journal, January 2016

Effect of 5 MeV proton irradiation damage on performance of β-Ga 2 O 3 photodetectors
journal, July 2016

  • Ahn, Shihyun; Lin, Yi-Hsuan; Ren, Fan
  • Journal of Vacuum Science & Technology B, Nanotechnology and Microelectronics: Materials, Processing, Measurement, and Phenomena, Vol. 34, Issue 4
  • DOI: 10.1116/1.4950872

High-quality β-Ga 2 O 3 single crystals grown by edge-defined film-fed growth
journal, November 2016

  • Kuramata, Akito; Koshi, Kimiyoshi; Watanabe, Shinya
  • Japanese Journal of Applied Physics, Vol. 55, Issue 12
  • DOI: 10.7567/JJAP.55.1202A2

Growth of β-Ga 2 O 3 Single Crystals by the Edge-Defined, Film Fed Growth Method
journal, November 2008

  • Aida, Hideo; Nishiguchi, Kengo; Takeda, Hidetoshi
  • Japanese Journal of Applied Physics, Vol. 47, Issue 11
  • DOI: 10.1143/JJAP.47.8506

Origin of the decoherence of the extended electron spin state in Ti-doped β-Ga 2 O 3
journal, July 2013

Point defect induced degradation of electrical properties of Ga 2 O 3 by 10 MeV proton damage
journal, January 2018

  • Polyakov, A. Y.; Smirnov, N. B.; Shchemerov, I. V.
  • Applied Physics Letters, Vol. 112, Issue 3
  • DOI: 10.1063/1.5012993

Deep level defects throughout the bandgap of (010) β-Ga 2 O 3 detected by optically and thermally stimulated defect spectroscopy
journal, February 2016

  • Zhang, Z.; Farzana, E.; Arehart, A. R.
  • Applied Physics Letters, Vol. 108, Issue 5
  • DOI: 10.1063/1.4941429

Direct, functional relationship between structural and optical properties in titanium-incorporated gallium oxide nanocrystalline thin films
journal, February 2017

  • Manandhar, S.; Ramana, C. V.
  • Applied Physics Letters, Vol. 110, Issue 6
  • DOI: 10.1063/1.4974042

Bulk β-Ga<sub>2</sub>O<sub>3</sub> with (010) and (201) Surface Orientation: Schottky Contacts and Point Defects
journal, May 2017

New correlation procedure for the improvement of resolution of deep level transient spectroscopy of semiconductors
journal, September 1997

  • Istratov, A. A.
  • Journal of Applied Physics, Vol. 82, Issue 6
  • DOI: 10.1063/1.366269

Defect identification based on first-principles calculations for deep level transient spectroscopy
journal, November 2018

  • Wickramaratne, Darshana; Dreyer, Cyrus E.; Monserrat, Bartomeu
  • Applied Physics Letters, Vol. 113, Issue 19
  • DOI: 10.1063/1.5047808

Electrical properties of β -Ga 2 O 3 single crystals grown by the Czochralski method
journal, September 2011

  • Irmscher, K.; Galazka, Z.; Pietsch, M.
  • Journal of Applied Physics, Vol. 110, Issue 6
  • DOI: 10.1063/1.3642962

Compensation and persistent photocapacitance in homoepitaxial Sn-doped β-Ga 2 O 3
journal, March 2018

  • Polyakov, A. Y.; Smirnov, N. B.; Shchemerov, I. V.
  • Journal of Applied Physics, Vol. 123, Issue 11
  • DOI: 10.1063/1.5025916

Growth of β-Ga 2 O 3 single crystals using vertical Bridgman method in ambient air
journal, August 2016

Correlation of Zero-Field Splittings and Site Distortions. IX. Fe3+ and Cr3+ in β -Ga2O3
journal, January 1987

  • Büscher, R.; Lehmann, G.
  • Zeitschrift für Naturforschung A, Vol. 42, Issue 1
  • DOI: 10.1515/zna-1987-0111
    Sort by:
    [ × clear filter / sort ]

    Similar Records in DOE PAGES and OSTI.GOV collections: