“…In this paper, we apply a first-principles formalism for the thermal conductivity calculation based on DFT and real-space lattice dynamics, recently developed [31,32] and verified for several realistic materials [33][34][35][36][37][38], to FeSb 2 to understand its intrinsic phonon-phonon interactions and, more importantly, provide the information of the phonon mean free path distribution, which is important in guiding the nanostructuring strategy for effectively reducing its thermal conductivity [3,9,11,39]. The detailed calculation procedures can be found in the references [31,32] and will only be briefly outlined here.…”