Short-range dynamics in the solid and liquid phases (1706.06553v1)

Abstract: The existence of the phonon-roton minimum has been widely observed for both the solid and liquid phases but so far there is no sufficient theoretical explanation of its origin. In this paper we use a range of techniques to study the dynamics and short-range order for a range of simple materials in their crystalline, amorphous and liquid phases. We perform inelastic neutron scattering (INS) experiments of polycrystalline and liquid barium to study the high-frequency dynamics and understand the mechanisms underlying the atomic motion. Moreover we perform INS simulations for crystals and supercooled liquids, compare the collective excitation spectra and identify similarities. We perform molecular dynamics (MD) simulations for the same materials and present results of population and bond angle distribution showing a short-range order dependence of the different phases, expanding the current knowledge in literature. Finally, we support our findings with a theoretical explanation of the origin of the phonon-roton minima which is observed in both solids and liquids. We study this as a classical phenomenon and we base our explanation on short range interatomic interactions.