Thermoelectric Properties of Copper-based Chalcopyrite Semiconductors Cu$M{X}_2$ ($M$ = Al, Ga, and In; $X$ = S, Se, and Te) from First-Principles Calculations

Wu Xiong, Zhonghao Xia, Zhongjuan Han +2

Copper-based chalcopyrite semiconductors have attracted sustained interest owing to their promising thermoelectric (TE) performance, yet the microscopic origins of their TE behavio…