  The properties of many intrinsic defects in the wide band gap semiconductor
LaAlO3 are studied using the screened hybrid functional of Heyd, Scuseria, and
Ernzerhof (HSE). As in pristine structures, exact exchange included in the
screened hybrid functional alleviates the band gap underestimation problem,
which is common to semilocal functionals; this allows accurate prediction of
defect properties. We propose correction-free defect energy levels for bulk
LaAlO3 computed using HSE that might serve as guide in the interpretation of
photoluminescence experiments.
