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• W4313592355 abstract "Gallium oxide is an emerging wide-bandgap semiconductor with promise for applications in space systems that may be exposed to energetic particles. We use molecular dynamics simulations, based on first principles density-functional methods, to determine the nature and stability of the defects generated by atoms knocked-out by particle irradiation at near threshold energies (found to be 28±1eV for Ga and 14±1eV for O). For Ga atoms, several types of low energy knock-out events result in defect complexes, but the final structures depend critically on the initial displacement direction. In contrast, a vacancy plus a peroxide linkage occurs in all types of low energy knock-out events of O atoms. Based on energy-barrier calculations, there is a low (high) probability for Ga (O) defect recombination. The electronic structure of residual, relaxed defects generated by Ga knock-outs reveals defect levels near the band edges." @default.
• W4313592355 created "2023-01-06" @default.
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• W4313592355 date "2023-01-04" @default.
• W4313592355 modified "2023-09-26" @default.
• W4313592355 title "Atomic-displacement threshold energies and defect generation in irradiated <i>β</i>-Ga₂O₃: A first-principles investigation" @default.
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• W4313592355 doi "https://doi.org/10.1063/5.0124285" @default.
• W4313592355 hasPublicationYear "2023" @default.
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