New Zintl Phase Yb₁₀MgSb₉ with High Thermoelectric Performance

Yb10MgSb9 is a new Zintl compound (with composition closer to Yb10.5MgSb9) and promising thermoelectric material first reported in this work. Undoped has an ultralow thermal conductivity due crystallographic complexity exhibits relatively high peak p-type Seebeck coefficient electrical resistivity. This consistent with counting density functional theory (DFT) calculations that the Yb10.5MgSb9 should be semiconductor. Na found experimentally effective dopant potentially replacement of Na+ for Yb2+, allowing significant decrease With doping, dramatic improvement observed glass-like remains low, enhancement figure merit, zT. Doping increases zT from 0.23 undoped 1.06 7 at% Na-doped at 873K. performance through Na-doping places amongst leading thermoelectrics, making it candidate future studies high-temperature applications.