Thermodynamic, electronic, and optical properties of ultra-wide bandgap zirconium-doped tin dioxide from a DFT perspective

Abstract

The ZrSnO2 alloys may achieve a full-component solid solution above the critical temperature of 979 K. The Zr doping strategy is expected to realize the bandgap regulation of SnO2 from visible light-blind UV-B band to solar-blind deep UV band.