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Improvement Of Thermoelectric Properties And Their Correlations With Electron Effective Mass In Cu1.98sxse1−X, Lanling Zhao, Frank Yun Fei, Jun Wang, Funing Wang, Chunlei Wang, Jichao Li, Ji-Yang Wang, Zhenxiang Cheng, Shi Xue Dou, Xiaolin Wang
Improvement Of Thermoelectric Properties And Their Correlations With Electron Effective Mass In Cu1.98sxse1−X, Lanling Zhao, Frank Yun Fei, Jun Wang, Funing Wang, Chunlei Wang, Jichao Li, Ji-Yang Wang, Zhenxiang Cheng, Shi Xue Dou, Xiaolin Wang
Australian Institute for Innovative Materials - Papers
Sulphur doping effects on the crystal structures, thermoelectric properties, density-of-states, and effective mass in Cu1.98SxSe1−x were studied based on the electrical and thermal transport property measurements, and first-principles calculations. The X-ray diffraction patterns and Rietveld refinements indicate that room temperature Cu1.98SxSe1−x (x=0, 0.02, 0.08, 0.16) and Cu1.98SxSe1−x (x=0.8, 0.9, 1.0) have the same crystal structure as monoclinic-Cu2Se and orthorhombic-Cu2S, respectively. Sulphur doping can greatly enhance zT values when x is in the range of 0.8≤x≤1.0. Furthermore, all doped samples show stable thermoelectric compatibility factors over a broad temperature range from 700 to 1000K, which could greatly benefit their practical applications. …
Ag-Mg Antisite Defect Induced High Thermoelectric Performance Of Α-Mgagsb, Zhenzhen Feng, Jihua Zhang, Yuli Yan, Guangbiao Zhang, Chao Wang, Chengxiao Peng, Fengzhu Ren, Yuan Xu Wang, Zhenxiang Cheng
Ag-Mg Antisite Defect Induced High Thermoelectric Performance Of Α-Mgagsb, Zhenzhen Feng, Jihua Zhang, Yuli Yan, Guangbiao Zhang, Chao Wang, Chengxiao Peng, Fengzhu Ren, Yuan Xu Wang, Zhenxiang Cheng
Australian Institute for Innovative Materials - Papers
Engineering atomic-scale native point defects has become an attractive strategy to improve the performance of thermoelectric materials. Here, we theoretically predict that Ag-Mg antisite defects as shallow acceptors can be more stable than other intrinsic defects under Mg-poor-Ag/Sb-rich conditions. Under more Mg-rich conditions, Ag vacancy dominates the intrinsic defects. The p-type conduction behavior of experimentally synthesized ¿-MgAgSb mainly comes from Ag vacancies and Ag antisites (Ag on Mg sites), which act as shallow acceptors. Ag-Mg antisite defects significantly increase the thermoelectric performance of ¿-MgAgSb by increasing the number of band valleys near the Fermi level. For Li-doped ¿-MgAgSb, under more …