First-principles calculations predict ultraviolet luminescence in Bi2SeO5, indicating its promise for electronic devices.
As a new layered semiconductor material, Bi2SeO5 has shown potential in the field of ultraviolet electronic devices in recent years because of its unique crystal structure and wide band gap. In this paper, the crystal structure, electronic structure, and thermodynamic stability of Bi2SeO5 are studied based on first-principles calculations. The ultraviolet luminescence property of BiSe defect is predicated from defect property, which provides theoretical basis for experimental design of high-performance Bi2SeO5 photoelectric devices.
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Zhou et al. (2025) studied this question.
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