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The partial dynamic structure factors Sξη(k,ω) in molten RbAg4I5 have been obtained by molecular dynamics simulation (MD) using the pair potentials including the effect of polarizability of ions. From the obtained Sξη(k,ω), the longitudinal acoustic (LA), the longitudinal optical (LO), and the transverse acoustic (TA) modes have been observed. It is noteworthy that they are propagated mainly by the ions of different kind; LA and LO modes by I ions, TA modes by Ag ions. The relaxation of phonon is also discussed by Sξη(k,ω) using the model based on the hydrodynamics and the plasma frequency. As a conclusion, the origin of the TA phonon modes is attributed to the cation-cation interaction.

transactions of the materials research society of japan

Partial Dynamic Structure Factors S&lt;sub&gt;ξη&lt;/sub&gt;(k,ω) and Phonon Propagation in Molten RbAg&lt;sub&gt;4&lt;/sub&gt;I&lt;sub&gt;5&lt;/sub&gt;: Molecular Simulation Study