Defect-Scattering Mediated Lattice and Thermal Transport

Defect- and disorder-scattering plays an important role in the lattice and thermal transport of crystalline materials, while sometimes leads to complex behaviors and poses challenge to fundamental understanding. In this talk, we will disscuss in situ experimental characterizations and first-principles calcuations for understanding and controlling such defect-interactions. Our measurements show disorder-driven behaviors in thermal performance under controlled chemical disorders. Our computational results predict the thermal and lattice transport of disordered crystals, in good agreement with experiments. The study provides understanding of the effects of defect scattering beyond quantum perturbation theory and enables rational engineering routes to design novel functions.