44 research outputs found
Structural phase transitions and their influence on Cu+ mobility in superionic ferroelastic Cu6PS5I single crystals
The structural origin of Cu+ ions conductivity in Cu6PS5I single crystals is
described in terms of structural phase transitions studied by X-ray
diffraction, polarizing microscope and calorimetric measurements. Below the
phase transition at Tc=(144-169) K Cu6PS5I belongs to monoclinic, ferroelastic
phase, space group Cc. Above Tc crystal changes the symmetry to cubic
superstructure, space group F-43c (a=19.528); finally at 274K disordering of
the Cu+ ions increases the symmetry to F-43m, (a=9.794). The phase transition
at 274K coincides well with a strong anomaly in electrical conductivity
observed in the Arrhenius plot. Diffusion paths for Cu+ ions are evidenced by
means of the atomic displacement factors and split model. Influence of the
copper stechiometry on the Tc is also discussed.Comment: conference pape