Study of the dependence of the ZT figure of merit on doping and temperature of ZnO

In this study, we have calculated thermoelectric properties as a function of temperature and doping of the most stable phases of ZnO using first-principle calculations combined with semi-classical equation of Boltzmann. The nature of electrical conductivity is determined; the coefficient of Seebeck and figure of merit as a function of a charge carrier concentration of three structures studied are calculated. At high doping concentration, the rocksalt phase shows the best figure of merit.

Automated summary

In this study, the thermoelectric properties of the most stable phases of ZnO were calculated as a function of temperature and doping using first-principle calculations combined with the semi-classical equation of Boltzmann. The nature of electrical conductivity was determined, and the Seebeck coefficient and figure of merit were calculated for three structures a s a function of charge carrier concentration. The rocksalt phase exhibited the highest figure of merit at high doping concentration.