Dynamical Behavior and Phonon Propagation in Superionic AgBr-CuBr System

Abstract

Molecular dynamics simulation (MD) has been performed to investigate the partial dynamical structure factors S ξη (k, ω) of the superionic phases for (Ag x Cu 1-x )Br of x = 0.1, which contains two kinds of mobile cations, Ag + and Cu + . From the obtained S ξη (k,ω), the longitudinal acoustic (LA), the longitudinal optical (LO), and the transverse acoustic (TA) modes have been observed. All these modes are propagated mainly by Br ions. The interaction between ions is also discussed using the model based on the plasma frequency.