Lattice Dislocations Enhancing Thermoelectric PbTe in Addition to Band Convergence

Phonon scattering by nanostructures and point defects has become the primary strategy for minimizing the lattice thermal conductivity (κ_L) in thermoelectric materials. However, these scatterers are only effective at the extremes of the phonon spectrum. Recently, it has been demonstrated that dislocations are effective at scattering the remaining mid-frequency phonons as well. In this work, by varying the concentration of Na in Pb_0.97Eu_0.03Te, it has been determined that the dominant microstructural features are point defects, lattice dislocations, and nanostructure interfaces. This study reveals that dense lattice dislocations (≈4 × 10¹² cm⁻²) are particularly effective at reducing κ_L. When the dislocation concentration is maximized, one of the lowest κ_L values reported for PbTe is achieved. Furthermore, due to the band convergence of the alloyed 3% mol. EuTe the electronic performance is enhanced, and a high thermoelectric figure of merit, zT, of ≈2.2 is achieved. This work not only demonstrates the effectiveness of dense lattice dislocations as a means of lowering κ_L, but also the importance of engineering both thermal and electronic transport simultaneously when designing high-performance thermoelectrics.