Optimization of Mechanical and Thermoelectric Properties of SnTe‐Based Semiconductors by Mn Alloying Modulated Precipitation Evolution

Abstract Multiscale defects engineering offers a promising strategy for synergistically enhancing the thermoelectric and mechanical properties of thermoelectric semiconductors. However, the specific impact of individual defects, in particular precipitation, on mechanical properties remains ambiguous. In this work, the mechanical and thermoelectric properties of Sn _{1.03− x} Mn _x Te ( x = 0–0.30) semiconductors are systematically studied. Mn‐alloying induces dense dislocations and Mn nano‐precipitates, resulting in an enhanced compressive strength with x increased to 0.15. Quantitative calculations are performed to assess the strengthening contributions including grain boundary, solid solution, dislocation, and precipitation strengthening. Due to the dominant contribution of precipitation strengthening, the yield strength of the x = 0.10 sample is improved by ≈74.5% in comparison to the Mn‐free Sn _1.03 Te. For x ≥ 0.15, numerous MnTe precipitates lead to a synergistic enhancement of strength‐ductility. In addition, multiscale defects induced by Mn alloying can scatter phonons over a wide frequency spectrum. The peak figure of merit ZT of ≈1.3 and an ultralow lattice thermal conductivity of ≈0.35 Wm ⁻¹ K ⁻¹ are obtained at 873 K for x = 0.10 and x = 0.30 samples respectively. This work reveals tha precipitation evolution optimizes the mechanical and thermoelectric properties of Sn _{1.03− x} Mn _x Te semiconductors, which may hold potential implications for other thermoelectric systems.