This study presents theoretical and experimental investigations into the electron and hole color centers in BaFBr crystals, characterizing their electronic and optical properties. Stoichiometric BaFBr crystals grown by the Steber method were used in the experiments. Radiation defects in BaFBr crystals were created by irradiation with 147 MeV ⁸⁴Kr ions with up to fluences of 10¹⁰–10¹⁴ ions/cm². The formation of electron color centers (F(F⁻), F₂(F⁻), F₂(Br⁻)) and hole aggregates was experimentally established by optical absorption spectroscopy. Performed measurements are compared with theoretical calculations. It allows us to determine the electron transition mechanisms and investigate the processes involved in photoluminescence emission in Eu-doped BaFBr materials to enhance the understanding of the fundamental electronic structure and properties of electron and hole color centers formed in BaFBr crystals.

In this work, using photoluminescence (PL), optical absorption (OA), Raman spectroscopy (RS), and atomic force microscopy (AFM), the radiation damage of BaFBr crystals irradiated with 147 MeV ⁸⁴Kr ions to fluences (10¹⁰–10¹⁴) cm² was investigated. The manifestations of the oxygen impurity contained in the studied crystals on the effects associated with ion irradiation are also considered. In unirradiated crystals, the PL spectra exhibited bands related to the oxygen impurity. Moreover, it was found that quenching and a shift of the PL maximum occur, which is due to the fact that, with increasing dose, aggregation of defects occurs. Electronic and hole aggregate color centers appear mainly in the bromide sublattice. A detailed study of the Raman spectra and comparison with the corresponding data for KBr single crystals made it possible to reveal the corresponding manifestations of the Raman modes of complex ${\mathrm{Br}}_3^{-}$-type hole centers.