Transition from electron accumulation to depletion at $β$-Ga2O3 surfaces: The role of hydrogen and the charge neutrality level

Swallow, J. N.; Varley, J. B.; Jones, L. H.; Gibbon, J. T.; Piper, L. J.; Dhanak, V. R.; Veal, T. D.

doi:10.1063/1.5054091

Title: Transition from electron accumulation to depletion at $$β$$-Ga₂O₃ surfaces: The role of hydrogen and the charge neutrality level

Journal Article · Tue Feb 12 00:00:00 EST 2019 · APL Materials

DOI:https://doi.org/10.1063/1.5054091· OSTI ID:1668503

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Univ. of Liverpool (United Kingdom)
Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)
Binghamton Univ., NY (United States)

The surface electronic properties of bulk-grown $$β$$-Ga₂O₃ ($$\overline{2}01$$) single crystals are investigated. The band gap is found using optical transmission to be 4.68 eV. High-resolution x-ray photoemission coupled with hybrid density functional theory calculation of the valence band density of states provides insights into the surface band bending. Importantly, the standard linear extrapolation method for determining the surface valence band maximum (VBM) binding energy is found to underestimate the separation from the Fermi level by ~0.5 eV. According to our interpretation, most reports of surface electron depletion and upward band bending based on photoemission spectroscopy actually provide evidence of surface electron accumulation. For uncleaned surfaces, the surface VBM to Fermi level separation is found to be 4.95 ± 0.10 eV, corresponding to downward band bending of ~0.24 eV and an electron accumulation layer with a sheet density of ~5 × 10¹² cm^–2. Uncleaned surfaces possess hydrogen termination which acts as surface donors, creating electron accumulation and downward band bending at the surface. In situ cleaning by thermal annealing removes H from the surface, resulting in a ~0.5 eV shift of the surface VBM and formation of a surface electron depletion layer with upward band bending of ~0.26 eV due to native acceptor surface states. These results are discussed in the context of the charge neutrality level, calculated bulk interstitial hydrogen transition levels, and related previous experimental findings.

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

Sponsoring Organization:: USDOE National Nuclear Security Administration (NNSA); USDOE Office of Energy Efficiency and Renewable Energy (EERE), Energy Efficiency Office. Advanced Manufacturing Office; Engineering and Physical Sciences Resource Council (EPSRC); US Air Force Office of Scientific Research (AFOSR)

Grant/Contract Number:: AC52-07NA27344; EP/L01551X/1; EP/N015800/1; FA9550-18-1-0024

OSTI ID:: 1668503

Report Number(s):: LLNL-JRNL-811560; 1018203; TRN: US2203800

Journal Information:: APL Materials, Vol. 7, Issue 2; ISSN 2166-532X

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

Country of Publication:: United States

Language:: English

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Title: Transition from electron accumulation to depletion at $$β$$-Ga2O3 surfaces: The role of hydrogen and the charge neutrality level

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Title: Transition from electron accumulation to depletion at $$β$$-Ga₂O₃ surfaces: The role of hydrogen and the charge neutrality level