2010
DOI: 10.1063/1.3499306
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Oxygen vacancies and donor impurities in β-Ga2O3

Abstract: Using hybrid functionals we have investigated the role of oxygen vacancies and various impurities in the electrical and optical properties of the transparent conducting oxide β-Ga2O3. We find that oxygen vacancies are deep donors, and thus cannot explain the unintentional n-type conductivity. Instead, we attribute the conductivity to common background impurities such as silicon and hydrogen. Monatomic hydrogen has low formation energies and acts as a shallow donor in both interstitial and substitutional config… Show more

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Cited by 807 publications
(631 citation statements)
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“…To date, there have been some theoretical calculations that predict states near these energy values based on the various oxygen and gallium vacancy related defects of several charge states and configurations but more work must be carried out in conjunction with careful experiments to elucidate further. 16,42,[45][46][47] The remaining states at E C À 1.27 eV (detected in trace amounts by DLOS), and the set of levels at E C À 0.18 eV À 0.21 eV found by DLTS, were not seen in the earlier EFG studied material. The role of vastly different growth methods, or the use of a different dopant could be responsible for these differences, and this would not be surprising.…”
Section: Model/parametermentioning
confidence: 93%
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“…To date, there have been some theoretical calculations that predict states near these energy values based on the various oxygen and gallium vacancy related defects of several charge states and configurations but more work must be carried out in conjunction with careful experiments to elucidate further. 16,42,[45][46][47] The remaining states at E C À 1.27 eV (detected in trace amounts by DLOS), and the set of levels at E C À 0.18 eV À 0.21 eV found by DLTS, were not seen in the earlier EFG studied material. The role of vastly different growth methods, or the use of a different dopant could be responsible for these differences, and this would not be surprising.…”
Section: Model/parametermentioning
confidence: 93%
“…Theoretical calculations have predicted the presence of vacancy-related energy levels near E C À 0.8 eV, though there is some controversy regarding the specific vacancy type (oxygen or gallium) in those works. 16,45,46 If indeed this is a vacancy-related state, it would not be surprising given that the different thermodynamic conditions of PAMBE vs. melt-based bulk crystal growth would generate different types and concentrations of Ga and O vacancies. However, a recent study has theoretically predicted that Fe Ga substitutional impurities can also manifest as a state near E C À 0.8 eV, and indeed an experimental correlation between the Fe concentration and the concentration of this trap within bulk substrate materials was observed along with an insensitivity to high energy particle irradiation that corroborates an extrinsic source.…”
Section: Model/parametermentioning
confidence: 99%
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“…It can be anticipated that the combination of a very heavy valence band effective mass and a strong Fröhlich interaction will lead to formation of polarons with very low conductivity. [162] In β-Ga 2 O 3 -based alloys and heterostructures, transport is completely unexplored. 2D electron gases in heterostructures are yet to be created in this material system, though this is expected to happen as the material matures.…”
Section: Low-field Transportmentioning
confidence: 99%