Calculating and analyzing the relationship between thermal conductivity and microstructure in rare-earth doped fluoride crystals†

Abstract

Rare earth (RE) ion-doped fluoride crystals have shown great application potential in various fields, attracting the attention of many researchers. The abnormal thermal transformation behavior of RE ion-doped fluoride crystals leads to the singularity and weakness in their application fields. Here, the influence of different structural characteristics of RE ion-doped fluoride crystals on the variation of thermal conductivity is further analyzed using phonon scattering calculation. Firstly, based on the effect of the phonon scattering mechanism on the thermal conductivity of RE ion-doped fluoride, a comprehensive analysis examines the diverse factors that affect the abnormal thermal behavior of different doping types and fluoride crystals. The actual thermal conductivity characteristics are predicted to optimize the crystal performance in various application fields of RE ion-doped fluoride crystals. Next, the influence mechanism of the mass and radius difference caused by RE ion doping structure on the thermal conductivity of RE ion-doped fluorides is thoroughly investigated. Ultimately, a theoretical foundation for the behavior and influence of disorder crystals' thermal conductivity is established.