Realizing an ultralow thermal conductivity via interfacial scattering and rational-electronic band reformation in p-type Mg3Sb2

Eco-friendly Magnesium antimonide (Mg3Sb2) has been extensively investigated as a promising and low-toxic thermoelectric material for intermediate (500–900 K) thermoelectric applications. Herein, p-type Zn-incorporated Mg3Sb2 was prepared by hot press technique, and its thermoelectric transport properties were investigated. The formation of Mg3−xZnxSb2 solid-solution plays a significant role in enhancing electrical conductivity of 34.59 S cm−1 due to the increased carrier concentration and reduced energy gap. Reduction in lattice thermal conductivity of 0.46 W m−1 K−1 at 753 K was obtained for Mg3−xZnxSb2 (x = 0.15) by combined scattering effect of dislocations, lattice strain, and interfaces, which is clearly seen in HR-TEM and strain analysis. These favorable conditions lead to an enhanced thermoelectric figure-of-merit (zT) of 0.25 at 753 K, which is 400% improved compared to the pure Mg3Sb2 sample.