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Atomic-displacement threshold energies and defect generation in irradiated β-Ga2O3: A first-principles investigation.
- Source :
-
Journal of Applied Physics . 1/7/2023, Vol. 133 Issue 1, p1-8. 8p. - Publication Year :
- 2023
-
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. [ABSTRACT FROM AUTHOR]
Details
- Language :
- English
- ISSN :
- 00218979
- Volume :
- 133
- Issue :
- 1
- Database :
- Academic Search Index
- Journal :
- Journal of Applied Physics
- Publication Type :
- Academic Journal
- Accession number :
- 161194249
- Full Text :
- https://doi.org/10.1063/5.0124285