Theoretical understanding of defects-driven mechanoluminescence for Pr^(3+)-doped NaNbO_(3)/LiNbO_(3)heterojunctions  

作　　者：Wenhao Li Minyu Jin Jianhui Li Ci Wang Haizheng Shi Jinlong Nan Qingmiao Hu Baifeng Liu Lu Liu Jing Ren Jianzhong Zhang 

机构地区：[1]Key Laboratory of Photonic Materials and Devices Physics for Oceanic Applications,Ministry of Industry and Information Technology of China,College of Physics and Optoelectronic Engineering,Harbin Engineering University,Harbin,150001,China [2]Key Laboratory of In-Fiber Integrated Optics of Ministry of Education,College of Physics and Optoelectronic Engineering,Harbin Engineering University,Harbin,150001,China [3]Institute of Metal Research,Chinese Academy of Sciences,Shenyang,110016,China [4]Shanghai APACTRON Particle Equipment Co.,Ltd,Shanghai,200000,China

出　　处：《Journal of Rare Earths》2025年第4期691-700,I0002,共11页稀土学报(英文版)

基　　金：supported by the National Natural Science Foundation of China(52201008,52372003);Natural Science Foundation of Heilongjiang Province of China(ZD2023E004);Fundamental Research Funds for the Central Universities(3072020CF2515,3072022CFJ2504);the State Key Laboratory of Particle Detection and Electronics(SKLPDE-KF-202311)。

摘　　要：Mechano luminescence(ML),which involves the emission of light under mechanical stimuli,shows great potential in various applications such as sensing,imaging,and energy harvesting.Current research suggests that the luminescence mechanism of ML is typically connected to specific defects present within the material.In this study,we focus on the investigation of ML defects in Pr^(3+)-doped NaNbO_(3)/LiNbO_(3)heterojunctions,employing a combination of experimental and theoretical approaches.Through experimental analysis,we confirmed the presence of the heterojunction and its influence on ML intensity,and the optimal doping ratio for the heterojunction in ML was established.Furthermore,we examined the influence of varying Pr^(3+)doping concentrations on ML behavior and a proof-of-concept was demonstrated using the X-rays charged heterostructural phosphor as a stress sensor for biological applications.The position and concentration of internal defects in the ML material were scrutinized through thermo luminescence tests employing the variable heating rate method and positron annihilation.Complementing the experimental findings,theoretical simulations were conducted to elucidate the underlying mechanisms responsible for the observed ML defects.Density functional theory calculations were employed to investigate the energy levels,charge transfer processes,and lattice distortions within the heterojunctions under mechanical stress.Theoretical predictions were compared and validated against the experimental results.The integration of experimental and theoretical approaches provides a comprehensive understanding of the ML behavior of Pr^(3+)-doped NaNbO_(3)/LiNbO_(3)heterojunctions.The insights gained from this research contribute to the development of novel ML materials and pave the way for their applications in next-generation sensing and energy conversion devices.

关 键 词：MECHANOLUMINESCENCE Defects First-principle calculations Positron annihilation lifetime test HETEROSTRUCTURES Rare earths 

分 类 号：O482.31[理学—固体物理]