Abstract
Luminescence characteristics of single crystals (SC) and single crystalline films (SCF) of YAlO3 and YAlO3 : Ce are studied at 4.2–300 K under photoexcitation in the 4–20 eV energy range. The origin and structure of the intrinsic and impurity defects responsible for various exciton-related emission and excitation bands are identified. The ≈5.6 eV emission of YAlO3 SCF is ascribed to the self-trapped excitons. In YAlO3 SC, the dominating 5.63 eV and 4.12 eV emissions are ascribed to the excitons localized at the isolated antisite defect and at the defect associated with the nearest-neighbouring oxygen vacancy, respectively. The thermally stimulated release of the electrons, trapped at these defects, takes place around 200 K and 280 K, respectively. The presence of -related defects and isolated oxygen vacancies (AlO5 units) in YAlO3 SC is confirmed by NMR measurements. The formation energies of various -related defects are calculated within the density functional theory. The influence of various intrinsic and impurity defects on the luminescence characteristics of Ce3+ centres is clarified.
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