Experimental and Computational Study of Elasticoluminescence in Gd2O2S:Tb3+: Implications for Mechanoluminescence Origins

Mechanoluminescent materials can convert mechanical stress into light. Among these, elasticoluminescent materials are useful for monitoring periodic and repetitive events. However, the development of high-performance elasticoluminescent materials remains a significant challenge because of the lack of understanding of the structures and mechanisms underlying mechanoluminescent materials. To address this issue, this study investigated the elasticoluminescence properties of Gd 2 O 2 S:Tb 3+ through a comprehensive analysis using experimental and computational techniques. Using thermoluminescence spectroscopy and density functional theory, we observed that trap states within the bandgap are generated by the O 2− and S 2− anion vacancies, which contribute to mechanoluminescence. The observation of green mechanoluminescence (ML) characteristics in Gd 2 O 2 S:Tb 3+ was accompanied by a meticulous analysis of their origins, which aligned significantly well with the computational results. These findings enhance our understanding of the origin of ML and provide a solid foundation for the development of next-generation high-performance ML materials, thus fostering advancements in various fields of advanced technology research.