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High-temperature behaviour of average structure and vibrational density of states in the ternary superionic compound AgCuSe

Author

Listed:
  • D. M. Trots
  • A. N. Skomorokhov
  • M. Knapp
  • H. Fuess

Abstract

Results of simultaneous thermal analysis (STA), synchrotron powder diffraction (in the range 300–973 K) and inelastic neutron scattering (at 285 and 505 K) on non-superionic β- and superionic α-AgCuSe are reported. The sample is stable in argon on heating. The volume change at the superionic phase transition is about 5%. A model for the average structure of α-AgCuSe is proposed. No anomalies in the temperature dependence of the parameters of the average structure were revealed. Ionic conductivity in α-AgCuSe can originate from cation jumps in “skewed” 〈100 〉 directions between nearest-neighbour tetrahedral sites via the peripheries of the octahedral cavities. A correlation between the temperature dependence of the cation redistribution in α-AgCuSe and the temperature dependence of the ionic conductivity is supposed. Various contributions (anharmonic effects, time-average static disorder and phonon-phonon scattering) to the widths of individual phonons upon temperature increase lead to pronounced changes in the neutron-weighted densities of states of β- and α-AgCuSe and accompany the superionic phase transition as well. Copyright EDP Sciences/Società Italiana di Fisica/Springer-Verlag 2006

Suggested Citation

  • D. M. Trots & A. N. Skomorokhov & M. Knapp & H. Fuess, 2006. "High-temperature behaviour of average structure and vibrational density of states in the ternary superionic compound AgCuSe," The European Physical Journal B: Condensed Matter and Complex Systems, Springer;EDP Sciences, vol. 51(4), pages 507-512, June.
    • Handle: RePEc:spr:eurphb:v:51:y:2006:i:4:p:507-512
    DOI: 10.1140/epjb/e2006-00253-3
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