Energetics and electronic structure of native point defects in α-Ga2O3
| Autor: | Fumiyasu Oba, Yu-ichiro Matsushita, Yu Kumagai, Tomoya Gake, Takuma Kobayashi |
|---|---|
| Rok vydání: | 2019 |
| Předmět: |
010302 applied physics
Condensed Matter - Materials Science Materials science Doping Fermi level General Engineering General Physics and Astronomy Corundum 02 engineering and technology Electron Electronic structure engineering.material 021001 nanoscience & nanotechnology Thermal conduction 01 natural sciences Molecular physics Crystallographic defect symbols.namesake Vacancy defect 0103 physical sciences engineering symbols 0210 nano-technology |
| Zdroj: | Applied Physics Express. 12:091001 |
| ISSN: | 1882-0786 1882-0778 |
| DOI: | 10.7567/1882-0786/ab3763 |
| Popis: | We report first-principles calculations that clarify the formation energies and charge transition levels of native point defects (Ga and O vacancies, interstitials, and a Ga vacancy-O vacancy pair) in corundum structured ${\alpha}$-Ga2O3. Either under a Ga- or O-rich growth condition, the negatively-charged Ga vacancy and the positively-charged Ga interstitial on a site surrounded by six O atoms are dominant when the Fermi level approaches the conduction and valence band edges, respectively. These defects would compensate carrier electrons and holes, respectively. Ga-rich conditions relatively suppress the formation of the Ga vacancy and, therefore, are suited for extrinsic n-type doping of ${\alpha}$-Ga2O3. Comment: 14 pages, 4 figures |
| Databáze: | OpenAIRE |
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