Theoretical study of thermoelectric properties of n-type doped Mg2Si0.4Sn0.6 solid solutions

WOS: 000372097300004In this work, a systematic theoretical investigation of thermoelectric properties of n-type doped [GRAPHICS] solid solutions with [GRAPHICS] is presented in the temperature range [GRAPHICS] K. Electronic transport properties ( [GRAPHICS] , S, and [GRAPHICS] ) are calculated using the nearly-free-electron approximation and the Fermi-Dirac statistics. Thermal transport properties including contributions from carriers ( [GRAPHICS] ), electron-hole pairs ( [GRAPHICS] ) and phonons ( [GRAPHICS] ) computed using the Wiedemann-Franz law, Price's theory and Srivastava's scheme, respectively. in a very good agreement with available experimental measurements, among with [GRAPHICS] samples, the highest value for thermoelectric figure of merit ZT is found to be 1.41 at 800K for [GRAPHICS] sample owing to its highest electrical conductivity and the lowest lattice thermal conductivity values. Additionally, by theoretically considering the doping levels as [GRAPHICS] , we suggest that at 800K ZT goes up by 30% for [GRAPHICS] sample with the value of [GRAPHICS] compared to [GRAPHICS] sample due to increment in the electrical conductivity and additional mass defect effects to the phonon thermal conductivity.Scientific and Technical Research Council of Turkey (TUBITAK)Turkiye Bilimsel ve Teknolojik Arastirma Kurumu (TUBITAK) [115F387]This work was supported by the Scientific and Technical Research Council of Turkey (TUBITAK) [grant number 115F387]