Compensation and hydrogen passivation of magnesium acceptors in β-Ga2O3

Ritter, Jacob R.; Huso, Jesse; Dickens, Peter T.; Varley, Joel B.; Lynn, Kelvin G.; McCluskey, Matthew D.

doi:10.1063/1.5044627

Compensation and hydrogen passivation of magnesium acceptors in β-Ga₂O₃

Journal Article · Mon Jul 30 00:00:00 EDT 2018 · Applied Physics Letters

DOI:https://doi.org/10.1063/1.5044627· OSTI ID:1489147

Ritter, Jacob R. ^[1]; Huso, Jesse ^[2]; Dickens, Peter T. ^[3]; Varley, Joel B. ^[4]; ^[3]; ^[3]

Washington State Univ., Pullman, WA (United States); Washington State Unversity
Washington State Univ., Pullman, WA (United States); Univ. of Idaho, Moscow, ID (United States)
Washington State Univ., Pullman, WA (United States)
Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)

Magnesium-doped gallium oxide may be utilized as a semi-insulating material for future generations of power devices. Spectroscopy and hybrid functional calculations were used to investigate defect levels in Czochralski-grown β-Ga₂O₃. Substitutional Mg dopants act as deep acceptors, while substitutional Ir impurities are deep donors. Hydrogen-annealed Ga₂O₃:Mg shows an IR peak at 3492 cm^–1, assigned to an O-H bond-stretching mode of a neutral MgH complex. As a result, despite compensation by Ir and Si and hydrogen passivation, high concentrations of Mg (10¹⁹ cm^–3) can push the Fermi level to mid-gap or lower.

View Accepted Manuscript (DOE)

Research Organization:: Washington State Univ., Pullman, WA (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22). Materials Sciences & Engineering Division

Grant/Contract Number:: FG02-07ER46386

OSTI ID:: 1489147

Alternate ID(s):: OSTI ID: 1462153
OSTI ID: 1497959

Journal Information:: Applied Physics Letters, Journal Name: Applied Physics Letters Journal Issue: 5 Vol. 113; ISSN 0003-6951

Publisher:: American Institute of Physics (AIP)Copyright Statement

Country of Publication:: United States

Language:: English

References (33)

The oxygen vacancy in Ga2O3: a double resonance investigation Kümmerer, H. J.; Denninger, G. Magnetic Resonance in Chemistry, Vol. 43, Issue S1 https://doi.org/10.1002/mrc.1682	journal	January 2005
Development of gallium oxide power devices: Development of gallium oxide power devices Higashiwaki, Masataka; Sasaki, Kohei; Kuramata, Akito physica status solidi (a), Vol. 211, Issue 1 https://doi.org/10.1002/pssa.201330197	journal	November 2013
Electrostatic interactions between charged defects in supercells Freysoldt, Christoph; Neugebauer, Jörg; Van de Walle, Chris G. physica status solidi (b), Vol. 248, Issue 5 https://doi.org/10.1002/pssb.201046289	journal	December 2010
Optical Absorption, Fluorescence, and Electron Spin Resonance of Ir4+ on Octahedral Sites in Y3Ga5O12 Andlauer, B.; Schneider, J.; Tolksdorf, W. physica status solidi (b), Vol. 73, Issue 2 https://doi.org/10.1002/pssb.2220730220	journal	February 1976
Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set Kresse, G.; Furthmüller, J. Computational Materials Science, Vol. 6, Issue 1, p. 15-50 https://doi.org/10.1016/0927-0256(96)00008-0	journal	July 1996
Floating zone growth of β-Ga2O3: a new window material for optoelectronic device applications Tomm, Y.; Ko, J. M.; Yoshikawa, A. Solar Energy Materials and Solar Cells, Vol. 66, Issue 1-4 https://doi.org/10.1016/S0927-0248(00)00196-3	journal	February 2001
Large-size β-Ga2O3 single crystals and wafers Víllora, Encarnación G.; Shimamura, Kiyoshi; Yoshikawa, Yukio Journal of Crystal Growth, Vol. 270, Issue 3-4 https://doi.org/10.1016/j.jcrysgro.2004.06.027	journal	October 2004
On the bulk β-Ga2O3 single crystals grown by the Czochralski method Galazka, Zbigniew; Irmscher, Klaus; Uecker, Reinhard Journal of Crystal Growth, Vol. 404 https://doi.org/10.1016/j.jcrysgro.2014.07.021	journal	October 2014
High-resolution X-ray luminescence extension imaging Ou, Xiangyu; Qin, Xian; Huang, Bolong Nature, Vol. 590, Issue 7846 https://doi.org/10.1038/s41586-021-03251-6	journal	February 2021
Electronic structure of AlFeN films exhibiting crystallographic orientation change from c- to a-axis with Fe concentrations and annealing effect Tatemizo, Nobuyuki; Imada, Saki; Okahara, Kizuna Scientific Reports, Vol. 10, Issue 1 https://doi.org/10.1038/s41598-020-58835-5	journal	February 2020
Anisotropy of electrical and optical properties in β-Ga2O3 single crystals Ueda, Naoyuki; Hosono, Hideo; Waseda, Ryuta Applied Physics Letters, Vol. 71, Issue 7 https://doi.org/10.1063/1.119693	journal	August 1997
Infrared spectroscopy of hydrogen in ZnO McCluskey, M. D.; Jokela, S. J.; Zhuravlev, K. K. Applied Physics Letters, Vol. 81, Issue 20 https://doi.org/10.1063/1.1520703	journal	November 2002
Hybrid functionals based on a screened Coulomb potential Heyd, Jochen; Scuseria, Gustavo E.; Ernzerhof, Matthias The Journal of Chemical Physics, Vol. 118, Issue 18 https://doi.org/10.1063/1.1564060	journal	May 2003
Crystal Structure of β‐Ga ₂ O ₃ Geller, S. The Journal of Chemical Physics, Vol. 33, Issue 3 https://doi.org/10.1063/1.1731237	journal	September 1960
Erratum: “Hybrid functionals based on a screened Coulomb potential” [J. Chem. Phys. 118, 8207 (2003)] Heyd, Jochen; Scuseria, Gustavo E.; Ernzerhof, Matthias The Journal of Chemical Physics, Vol. 124, Issue 21 https://doi.org/10.1063/1.2204597	journal	June 2006
Electrical properties of Fe in GaAs Kleverman, M.; Omling, P.; Ledebo, L‐Å. Journal of Applied Physics, Vol. 54, Issue 2 https://doi.org/10.1063/1.332040	journal	February 1983
Electrical properties of β -Ga ₂ O ₃ single crystals grown by the Czochralski method Irmscher, K.; Galazka, Z.; Pietsch, M. Journal of Applied Physics, Vol. 110, Issue 6 https://doi.org/10.1063/1.3642962	journal	September 2011
Correlation between blue luminescence intensity and resistivity in β -Ga ₂ O ₃ single crystals Onuma, T.; Fujioka, S.; Yamaguchi, T. Applied Physics Letters, Vol. 103, Issue 4 https://doi.org/10.1063/1.4816759	journal	July 2013
Electron paramagnetic resonance study of neutral Mg acceptors in β-Ga ₂ O ₃ crystals Kananen, B. E.; Halliburton, L. E.; Scherrer, E. M. Applied Physics Letters, Vol. 111, Issue 7 https://doi.org/10.1063/1.4990454	journal	August 2017
Iron and intrinsic deep level states in Ga ₂ O ₃ Ingebrigtsen, M. E.; Varley, J. B.; Kuznetsov, A. Yu. Applied Physics Letters, Vol. 112, Issue 4 https://doi.org/10.1063/1.5020134	journal	January 2018
Structure and vibrational properties of the dominant O-H center in β-Ga ₂ O ₃ Weiser, Philip; Stavola, Michael; Fowler, W. Beall Applied Physics Letters, Vol. 112, Issue 23 https://doi.org/10.1063/1.5029921	journal	June 2018
Paramagnetic resonance and near-infrared optical absorption of SrTiO ₃ :Ir ⁴⁺ Schirmer, O. F.; Forster, A.; Hesse, H. Journal of Physics C: Solid State Physics, Vol. 17, Issue 7 https://doi.org/10.1088/0022-3719/17/7/024	journal	March 1984
The growth of insulating crystals Brice, J. C. Reports on Progress in Physics, Vol. 40, Issue 5 https://doi.org/10.1088/0034-4885/40/5/002	journal	May 1977
Hydrogenated cation vacancies in semiconducting oxides Varley, J. B.; Peelaers, H.; Janotti, A. Journal of Physics: Condensed Matter, Vol. 23, Issue 33 https://doi.org/10.1088/0953-8984/23/33/334212	journal	August 2011
A survey of acceptor dopants for β -Ga ₂ O ₃ Lyons, John L. Semiconductor Science and Technology, Vol. 33, Issue 5 https://doi.org/10.1088/1361-6641/aaba98	journal	April 2018
Projector augmented-wave method Blöchl, P. E. Physical Review B, Vol. 50, Issue 24, p. 17953-17979 https://doi.org/10.1103/PhysRevB.50.17953	journal	December 1994
Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set Kresse, G.; Furthmüller, J. Physical Review B, Vol. 54, Issue 16, p. 11169-11186 https://doi.org/10.1103/PhysRevB.54.11169	journal	October 1996
Hydrogen donors in SnO 2 studied by infrared spectroscopy and first-principles calculations Hlaing Oo, W. M.; Tabatabaei, S.; McCluskey, M. D. Physical Review B, Vol. 82, Issue 19 https://doi.org/10.1103/PhysRevB.82.193201	journal	November 2010
Anisotropy, phonon modes, and free charge carrier parameters in monoclinic β -gallium oxide single crystals Schubert, M.; Korlacki, R.; Knight, S. Physical Review B, Vol. 93, Issue 12 https://doi.org/10.1103/PhysRevB.93.125209	journal	March 2016
Device-Quality $\beta$-Ga$_{2}$O$_{3}$ Epitaxial Films Fabricated by Ozone Molecular Beam Epitaxy Sasaki, Kohei; Kuramata, Akito; Masui, Takekazu Applied Physics Express, Vol. 5, Issue 3 https://doi.org/10.1143/APEX.5.035502	journal	February 2012
Scaling-Up of Bulk β-Ga ₂ O ₃ Single Crystals by the Czochralski Method Galazka, Zbigniew; Uecker, Reinhard; Klimm, Detlef ECS Journal of Solid State Science and Technology, Vol. 6, Issue 2 https://doi.org/10.1149/2.0021702jss	journal	September 2016
Anisotropy, phonon modes, and free charge carrier parameters in monoclinic $β$-gallium oxide single crystals Schubert, M.; Korlacki, R.; Knight, S. arXiv https://doi.org/10.48550/arxiv.1512.08590	text	January 2015
High-quality β-Ga ₂ O ₃ single crystals grown by edge-defined film-fed growth Kuramata, Akito; Koshi, Kimiyoshi; Watanabe, Shinya Japanese Journal of Applied Physics, Vol. 55, Issue 12 https://doi.org/10.7567/JJAP.55.1202A2	journal	November 2016

Cited By (19)

Defect Formation Energies of Interstitial C, Si, and Ge Impurities in β ‐Ga ₂ O ₃ Bouzid, Assil; Pasquarello, Alfredo physica status solidi (RRL) – Rapid Research Letters, Vol. 13, Issue 8 https://doi.org/10.1002/pssr.201800633	journal	April 2019
Incident wavelength and polarization dependence of spectral shifts in β-Ga2O3 UV photoluminescence Wang, Yunshan; Dickens, Peter T.; Varley, Joel B. Scientific Reports, Vol. 8, Issue 1 https://doi.org/10.1038/s41598-018-36676-7	journal	December 2018
Electrical properties of bulk semi-insulating β-Ga ₂ O ₃ (Fe) Polyakov, A. Y.; Smirnov, N. B.; Shchemerov, I. V. Applied Physics Letters, Vol. 113, Issue 14 https://doi.org/10.1063/1.5051986	journal	October 2018
Perspective: Ga ₂ O ₃ for ultra-high power rectifiers and MOSFETS Pearton, S. J.; Ren, Fan; Tadjer, Marko Journal of Applied Physics, Vol. 124, Issue 22 https://doi.org/10.1063/1.5062841	journal	December 2018
Deep acceptors and their diffusion in Ga ₂ O ₃ Peelaers, Hartwin; Lyons, John L.; Varley, Joel B. APL Materials, Vol. 7, Issue 2 https://doi.org/10.1063/1.5063807	journal	February 2019
Ir ⁴⁺ ions in β-Ga ₂ O ₃ crystals: An unintentional deep donor Lenyk, C. A.; Giles, N. C.; Scherrer, E. M. Journal of Applied Physics, Vol. 125, Issue 4 https://doi.org/10.1063/1.5081825	journal	January 2019
Hydrogen plasma treatment of β -Ga ₂ O ₃ : Changes in electrical properties and deep trap spectra Polyakov, A. Y.; Lee, In-Hwan; Smirnov, N. B. Applied Physics Letters, Vol. 115, Issue 3 https://doi.org/10.1063/1.5108790	journal	July 2019
Thermal properties of the dominant O – H complex in β-Ga ₂ O ₃ Nickel, N. H.; Lang, F.; Villora, E. G. AIP Advances, Vol. 9, Issue 10 https://doi.org/10.1063/1.5112168	journal	October 2019
Optical absorption of Fe in doped Ga ₂ O ₃ Bhandari, Suman; Zvanut, M. E.; Varley, J. B. Journal of Applied Physics, Vol. 126, Issue 16 https://doi.org/10.1063/1.5124825	journal	October 2019
Iridium-related complexes in Czochralski-grown β-Ga ₂ O ₃ Ritter, Jacob R.; Lynn, Kelvin G.; McCluskey, Matthew D. Journal of Applied Physics, Vol. 126, Issue 22 https://doi.org/10.1063/1.5129781	journal	December 2019
Deep donors and acceptors in β-Ga ₂ O ₃ crystals: Determination of the Fe ^2+/3+ level by a noncontact method Lenyk, C. A.; Gustafson, T. D.; Halliburton, L. E. Journal of Applied Physics, Vol. 126, Issue 24 https://doi.org/10.1063/1.5133051	journal	December 2019
Optical transitions for impurities in Ga ₂ O ₃ as determined by photo-induced electron paramagnetic resonance spectroscopy Bhandari, Suman; Zvanut, M. E. Journal of Applied Physics, Vol. 127, Issue 6 https://doi.org/10.1063/1.5140193	journal	February 2020
Self-trapped hole and impurity-related broad luminescence in β -Ga ₂ O ₃ Frodason, Y. K.; Johansen, K. M.; Vines, L. Journal of Applied Physics, Vol. 127, Issue 7 https://doi.org/10.1063/1.5140742	journal	February 2020
Determination of dielectric axes and transition moment directions in β-Ga ₂ O ₃ from the polarization dependence of vibrational spectra Portoff, Amanda; Venzie, Andrew; Stavola, Michael Journal of Applied Physics, Vol. 127, Issue 5 https://doi.org/10.1063/1.5142376	journal	February 2020
Hydrogen passivation of calcium and magnesium doped [beta]-Ga2O3 Ritter, Jacob; Lynn, Kelvin G.; McCluskey, Matthew D. Oxide-based Materials and Devices X https://doi.org/10.1117/12.2507187	conference	March 2019
Electrical Properties, Deep Trap and Luminescence Spectra in Semi-Insulating, Czochralski β-Ga ₂ O ₃ (Mg) Polyakov, A. Y.; Smirnov, N. B.; Shchemerov, I. V. ECS Journal of Solid State Science and Technology, Vol. 8, Issue 7 https://doi.org/10.1149/2.0041907jss	journal	January 2019
Effects of Hydrogen Plasma Treatment Condition on Electrical Properties of β-Ga ₂ O ₃ Polyakov, A. Y.; Lee, In-Hwan; Smirnov, N. B. ECS Journal of Solid State Science and Technology, Vol. 8, Issue 11 https://doi.org/10.1149/2.0041911jss	journal	January 2019
Editors' Choice—Hydrogen Centers in β-Ga ₂ O ₃ : Infrared Spectroscopy and Density Functional Theory Qin, Ying; Stavola, Michael; Fowler, W. Beall ECS Journal of Solid State Science and Technology, Vol. 8, Issue 7 https://doi.org/10.1149/2.0221907jss	journal	January 2019
Editors' Choice—Review—Theory and Characterization of Doping and Defects in β-Ga ₂ O ₃ Tadjer, Marko J.; Lyons, John L.; Nepal, Neeraj ECS Journal of Solid State Science and Technology, Vol. 8, Issue 7 https://doi.org/10.1149/2.0341907jss	journal	January 2019

Similar Records

Hydrogen passivation of calcium and magnesium doped β-Ga₂O₃

Journal Article · Thu Feb 28 23:00:00 EST 2019 · Proceedings of SPIE - The International Society for Optical Engineering · OSTI ID:1601471

Point defects in Ga₂O₃

Journal Article · Tue Mar 10 00:00:00 EDT 2020 · Journal of Applied Physics · OSTI ID:1766570

Iridium-related complexes in Czochralski-grown β-Ga ₂O₃

Journal Article · Fri Dec 13 23:00:00 EST 2019 · Journal of Applied Physics · OSTI ID:1601481

Related Subjects

74 ATOMIC AND MOLECULAR PHYSICS