The aluminate perovskites YAlO_3 (YAP) and LuAlO_3 (LuAP) have been identified as potential scintillator materials due to their high light output and short decay time. However, the performance of these materials is significantly reduced by point defects. In this paper, atomistic simulations provide insight into the types of point defects that are expected under various conditions in YAP and LuAP, as well as other REAlO_3 compounds (where RE denotes a rare earth ion ranging from Lu to La or Y). For example, we predict that cation antisites are the dominate intrinsic defect for smaller REAlO_3 compounds, with the concentration of Schottky-type defects increasing for compounds with larger RE ions. We also predict that cation vacancies will be present in association with the oxidation of the Ce activator. From these results, we show how defects affect different aspects of the scintillation process. Our aim is to provide information that can be used to aid in the intelligent optimization of this family of scintillator compounds.
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