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Lattice vibrations in an α- and β-AgCuS superionic conductor: experimental time-of-flight inelastic neutron scattering studies

Inelastic neutron scattering (INS) measurements of a powder specimen of cation conducting AgCuS have been performed in its β-phase at 298 and 348 K and in its α-phase at 398 K by neutron time-of-flight (TOF) scattering. The neutron-weighted phonon density of states, G(ε), of the superionic and non-superionic phases of AgCuS has been obtained. G(ε) reveals a non-Debye behaviour at low energy that is caused by the presence of low-energy modes at 2.6 meV observed in the dynamic structure factor. The origin of this mode is not clear. The phase transition at 366 K is accompanied by considerable softening of several modes and simultaneous broadening of all peaks that result in a large increase of quasi-elastic intensity. Thermodynamic variables have been derived on the basis of G(ε).