K. S. Sharma

Predicted High $n$-Type $zT$ and Ultralow Lattice Thermal Conductivity in A$_2$AgIrCl$_6$ (A = Cs, Rb)

A useful thermoelectric device must impede heat flow without impeding charge transport. Here, we examine how closely cubic Cs$_2$AgIrCl$_6$ and Rb$_2$AgIrCl$_6$ approach this balance using first-principles calculations of structural stability, chemical bonding, elastic response, lattice dynamics, and scattering-resolve...