High $n$-type thermoelectric power factor and efficiency in Ba${}_2$BiAu from a highly dispersive band

Junsoo Park, Yi Xia, Vidvuds Ozoliņš

Using first-principles density-functional theory calculations, we predict the potential for unprecedented thermoelectric efficiency $zT=5$ at 800 K in $n$-type Ba${}_2$BiAu full-He…