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Prediction of the Ultraviolet Luminescence Potential of Bi2SeO5: First-Principles Insights

Year: 2025
Type: article
Abstract: 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.
Authors: Yining Zhou, Jiamin Li, Yutong Feng, Yichen Bian, Longlinsen He, Chen-Min Dai
Language: English
Open Access status: diamond
OpenAlex ID: W4413208282
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