Enhancement of thermoluminescence property of LiMgPO₄ by Tm doping: a DFT study

LiMgPO₄ doped with rare-earth elements has become a material of choice for dosimetric applications. To obtain a material with enhanced properties, the knowledge on the nature of defects in doped LiMgPO₄ is of much importance. The thermoluminescence (TL)/optically stimulated luminescence (OSL) signal originates from the recombination centres /luminescence centres existing deep in the forbidden band gap, and the whole process depends on the electronic structure of the material. Present study aims to investigate geometry and electronic structure of LiMgPO₄ doped with Tm using density functional theory (DFT). Present study reveals that the presence of the trap states is attributed to enhanced thermoluminescence property of Tm-doped LiMgPO₄. (author)