Physics – Condensed Matter – Materials Science
Scientific paper
2005-07-13
Physics
Condensed Matter
Materials Science
conference paper
Scientific paper
10.1088/0953-8984/18/19/005
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.
Drozd M.
Gagor A.
Kaynts D.
Pietraszko A.
Polomska M.
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