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 ± 1 eV for Ga and 14 ± 1 eV 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.
Original language | English (US) |
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Article number | 015703 |
Journal | Journal of Applied Physics |
Volume | 133 |
Issue number | 1 |
DOIs | |
State | Published - Jan 7 2023 |
All Science Journal Classification (ASJC) codes
- General Physics and Astronomy