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Enhanced optical properties of <i>β</i>-Ga<sub>2</sub>O<sub>3</sub>-<sub><em>x</em></sub>S<sub><em>x</em></sub>S: A DFT study
Published 2025“…Here, we conduct systematic density functional theory calculations to study the effect of sulfur doping on the electronic and optical properties of <i>β</i>-Ga<sub>2</sub>O<sub>3</sub>. We find that the band gap of the material decreases with increasing sulfur content (from 4.81 eV to 1.59 eV), accompanied by symmetric shifts in both the valence-band offset and the conduction-band edge. …”