Cheng-Chao Ye

Hierarchical Bonding Enables Dual-Channel Thermal Transport and Ultralow Lattice Thermal Conductivity in Zintl X2Te2 (X = Cs, Rb)

Zintl compounds are promising thermoelectric materials owing to their intrinsically low lattice thermal conductivity (κL), yet the microscopic origin of their thermal transport remains incompletely understood. Here, first-principles calculations combined with finite-temperature lattice dynamics, four-phonon scatterin...