Abstract
High lattice thermal conductivity of intrinsic GeTe limits the wide application of GeTe-based thermo-electrics.Recently,the optimization of GeTe-based thermoelectric materials has been focusing on re-ducing lattice thermal conductivity via strengthening phonon scattering.In this study,we systematically studied thermoelectric properties of Se-alloyed Ge0.95Bi0.05Te via theoretical calculations,structural char-acterizations,and performance evaluations.Our results indicate that Se-alloying can induce dense point defects with mass/strain-field fluctuations and correspondingly enhance point defect phonon scattering of the Ge0.95Bi0.05Te matrix.Se-alloying might also change chemical bonding strength to introduce resonant states in the base frequency of Ge0.95Bi0.05Te matrix,which can strengthen Umklapp phonon scattering.Finally,a decreased lattice thermal conductivity from~1.02 W m-1 K-1 to~0.65 W mr1 K-1 at 723 K is obtained in Ge0.95Bi0.05Te1-xSex pellets with increasing the Se content from 0 to 0.3.A peak figure of merit of~1.6 at 723 K is achieved in Ge0.95Bi0.05Te0.7Se0.3 pellet,which is~77%higher than that of pris-tine GeTe.This study extends the understanding on the thermoelectric performance of GeTe.
基金项目
National Natural Science Foundation of China(51972170)
State Key Laboratory of Materials-Oriented Chemical Engineering(ZK201812)
CAS Key Laboratory of Carbon Materials(KLCMKFU2002)
Pri-ority Academic Program Development of Jiangsu Higher Education InstitutionsPAPD()
Jiangsu Specially-Appointed Professor Pro-gramZGC thanks the finacial support from the Australian Research Council,USQ start()