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BeO ceramics in the wurtzite (w -BeO) form either pure or doped with lanthanide ions present high Thermoluminescence (TL) and Optically Stimulated Luminescence (OSL) sensitivity. However, the mechanism of defect formation governing the charge carrier dynamics associated with the TL and OSL signals is not well understood yet. Thus, this work aims to develop a study on the structural, mechanical, dielectric, and defect properties of Europium ion–doped w -BeO ceramics. We develop a new set of potential parameters to describe the Be–O bond. By using these potential parameters, we describe the physical and chemical properties with good agreement. Defect calculations employing the Mott and Littleton two-region strategy show that the distorted structure of pure w -BeO ceramics favours the Frenkel–type defect formation in the basal plane of the crystal lattice. When doped with Eu3+, we observed a change in the defect arrangement. It replaces preferentially two Be sites, eliminating beryllium interstices and keeping the beryllium vacancy from the initial configuration. We also observed that it is unlikely the Eu3+/Eu2+ coexist due to the solution energy values. Lastly, we have observed a most significant electron–hole interaction which may be associated with the intrinsic luminescence band of the w -BeO ceramics. In addition, TL and OSL measurements are presented to corroborate the defect calculations. The results presented here bring new insight to elucidate the charge carrier dynamic associated with the luminescent properties. [ABSTRACT FROM AUTHOR]