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

¹ Key Laboratory of Intelligent Optoelectronic Devices and Chips of Jiangsu Higher Education Institutions, School of Physical Science and Technology, Suzhou University of Science and Technology, Suzhou 215009, China,

JERA 2025 , 9(4), 224–228; https://doi.org/10.26689/jera.v9i4.11649

© 2025 by the Authors. Licensee Whioce Publishing, Singapore. This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution 4.0 International License ( https://creativecommons.org/licenses/by/4.0/ )

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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 Bi₂SeO₅are studied based on first-principles calculations. The ultraviolet luminescence property of Bi_Se defect is predicated from defect property, which provides theoretical basis for experimental design of high-performance Bi₂SeO₅photoelectric devices.

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