${\mathrm{Ti}}^{4+}/{\mathrm{Ti}}^{3+}$ dopants in oxides are known to significantly influence optical and electronic properties, yet a systematic understanding of their defect levels across different hosts remains limited. In this study, we employ dielectric-dependent hybrid density functional theory (PBE0-$\alpha$) to compute the band gaps and ${\mathrm{Ti}}^{4+}/{\mathrm{Ti}}^{3+}$ charge transition levels (CTLs) in a range of host materials. The calculated CTLs relative to the valence band maxima show good agreement with experimental data, typically deviating by less than $10\%$, which is considered acceptable given the uncertainties in experimental measurements. By combining these computational results with experimentally derived vacuum-referenced valence band maxima, we construct band diagrams that clarify the energetic positions of Ti-related defects. These results demonstrate the accuracy and predictive power of the PBE0-$\alpha$ approach and provide a robust computational framework and valuable reference data for the analysis and design of Ti-doped functional oxides.

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• Electronic structure
• Point defects
• Oxides
• First-principles calculations
• Luminescence