Dynamic disorder phonon scattering mediated by Cu atomic hopping and diffusion in Cu_(3)SbSe_(3)

Cu_(3)SbSe_(3) that exhibits distinct liquid-like sublattice due to the heterogeneous bonding environment has emerged as a promising low cost superionic semiconductor with intrinsic ultralow thermal conductivity.However,the relationship between atomic dynamics resulting in liquid-like diffusion and anomalous phonon transport properties remains poorly understood.Herein,combing ab initio molecular dynamics with temperature-dependent Raman measurements,we have performed a thorough investigation on the lattice dynamics of Cu_(3)SbSe_(3).Superionic transition is unveiled for both structurally inequivalent Cu atoms at elevated temperatures,while the Se-formed tetrahedral framework can simultaneously maintain.