Design Strategies for Perovskite-Type High-Entropy Oxides with Applications in Optics

It is essential and challenging to develop advanced ceramic materials with thermal stability and high reflectivity for optical fields. Encouragingly, recent breakthroughs and significant advances in high-entropy ceramics have made high-entropy oxides a potential candidate material for optical applications. Therefore, in this study, we analyzed the effect of lattice distortion on the design of high-reflectivity, high-entropy oxides using first-principles calculations and aberration-corrected microscopy. In order to optimize the optical properties of the materials, a series of novel perovskite-type high-entropy oxides, (La-x K0.4-x Ca0.2Sr0.2Ba0.2)TiO3+delta (x = 0.1, 0.15, 0.2, 0.25, 0.3), were designed and synthesized using solid-state sintering based on the charge conservation principle and bond energy principle. When the content of La in the A-site element was 30%, the optical reflectivity reached 94% by suppressing the oxygen vacancy. Furthermore, we have successfully prepared a series of coatings by air spraying based on the regulation of the mass ratio of resin and powder. Compared to the uncoated substrate, the backside temperature can be reduced by 41%. This work provides a feasible design route with the first clear guidelines for highly reflective high-entropy ceramic materials and enables highly stable material design in multielement spaces.

Automated summary

This study analyzed the effect of lattice distortion on the design of high-reflectivity, high-entropy oxides using first-principles calculations and aberration-corrected microscopy. A series of novel perovskite-type high-entropy oxides were designed and synthesized to optimize the optical properties of the materials. Coatings were successfully prepared, resulting in a significant reduction in the backside temperature.