Symmetry-Guided Design of Thermoelectric Materials

Structural symmetries of crystals put strong constraints on the dynamics of quasiparticles and their associated transport behaviors. Here, I will discuss the role of twist symmetries in a variety of one-dimensional and bulk materials' classes, using first-principles calculations. The symmetry-driven behaviors will be discussed in the context of enforced degeneracies, chirality-induced topological crossings, and quasiparticle interactions governing transport behaviors of thermoelectric materials.The deeper insights into the selection rules for thermal transport and unique scattering observables validated by inelastic neutron scattering measurements, provide new avenues in designing efficient thermoelectric materials.<br/><br/>The authors acknowledge support from the U. S. Department of Energy, Office of Science, Basic Energy Sciences, Materials Sciences and Engineering Division.