Indium Gallium Oxide Alloys: Electronic Structure, Optical Gap, Surface Space Charge, and Chemical Trends within Common-Cation Semiconductors

Swallow, Jack E. N.; Palgrave, Robert G.; Murgatroyd, Philip A. E.; Regoutz, Anna; Lorenz, Michael; Hassa, Anna; Grundmann, Marius; von Wenckstern, Holger; Varley, Joel B.; Veal, Tim D.

doi:10.1021/acsami.0c16021

Title: Indium Gallium Oxide Alloys: Electronic Structure, Optical Gap, Surface Space Charge, and Chemical Trends within Common-Cation Semiconductors

Journal Article · Mon Jan 11 00:00:00 EST 2021 · ACS Applied Materials and Interfaces

DOI:https://doi.org/10.1021/acsami.0c16021· OSTI ID:1765432

Swallow, Jack E. N. ^[1];

^[2]; Murgatroyd, Philip A. E. ^[3];

^[2];

^[4]; Hassa, Anna ^[4];

^[4]; von Wenckstern, Holger ^[4];

^[5];

^[3]

Stephenson Institute for Renewable Energy and Department of Physics, University of Liverpool, Liverpool L69 7ZF, U.K., Department of Materials, University of Oxford, Parks Road, Oxford OX1 3PH, U.K.
Department of Chemistry, University College London, 20 Gordon Street, London WC1H 0AJ, U.K.
Stephenson Institute for Renewable Energy and Department of Physics, University of Liverpool, Liverpool L69 7ZF, U.K.
Felix Bloch Institute for Solid State Physics, Universität Leipzig, Leipzig, Germany
Lawrence Livermore National Laboratory, Livermore, California 94550, United States

The electronic and optical properties of (In_xGa_1–x)₂O₃ alloys are highly tunable, giving rise to a myriad of applications including transparent conductors, transparent electronics, and solar-blind ultraviolet photodetectors. Here, we investigate these properties for a high quality pulsed laser deposited film which possesses a lateral cation composition gradient (0.01 ≤ x ≤ 0.82) and three crystallographic phases (monoclinic, hexagonal, and bixbyite). The optical gaps over this composition range are determined, and only a weak optical gap bowing is found (b = 0.36 eV). The valence band edge evolution along with the change in the fundamental band gap over the composition gradient enables the surface space-charge properties to be probed. This is an important property when considering metal contact formation and heterojunctions for devices. A transition from surface electron accumulation to depletion occurs at x ~ 0.35 as the film goes from the bixbyite In₂O₃ phase to the monoclinic β-Ga₂O₃ phase. The electronic structure of the different phases is investigated by using density functional theory calculations and compared to the valence band X-ray photoemission spectra. Finally, the properties of these alloys, such as the n-type dopability of In₂O₃ and use of Ga₂O₃ as a solar-blind UV detector, are understood with respect to other common-cation compound semiconductors in terms of simple chemical trends of the band edge positions and the hydrostatic volume deformation potential.

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Research Organization:: Lawrence Livermore National Laboratory (LLNL), Livermore, CA (United States)

Sponsoring Organization:: USDOE Office of Energy Efficiency and Renewable Energy (EERE), Energy Efficiency Office. Advanced Manufacturing Office

Grant/Contract Number:: AC52-07NA27344

OSTI ID:: 1765432

Alternate ID(s):: OSTI ID: 1828660

Report Number(s):: LLNL-JRNL-814954

Journal Information:: ACS Applied Materials and Interfaces, Journal Name: ACS Applied Materials and Interfaces Vol. 13 Journal Issue: 2; ISSN 1944-8244

Publisher:: American Chemical SocietyCopyright Statement

Country of Publication:: United States

Language:: English

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Title: Indium Gallium Oxide Alloys: Electronic Structure, Optical Gap, Surface Space Charge, and Chemical Trends within Common-Cation Semiconductors

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