Al 2 O 3 is a promising material for use as a dielectric in metal-oxide-semiconductor devices
based on III-V compound semiconductors. However, the presence of deep levels and fixed
charge in the Al 2 O 3 layer is still a concern, with native defects being a possible cause of
traps, leakage, and fixed charge. We report hybrid density functional calculations for
vacancies, self-interstitials, and antisites in Al 2 O 3⁠. The energetic positions of defect
levels are discussed in terms of the calculated band alignment at the interface between the …