Dynamics of the perovskite-based high-temperature proton-conducting oxides: Theory and experiment

Christof Karmonik, T. Yildirim, T. J. Udovic, J. J. Rush, R. Hempelmann

Research output: Contribution to journalConference article

8 Scopus citations

Abstract

The dynamics of the doped perovskite-based high-temperature protonic conductors (HTPC) were studied by means of neutron vibrational spectroscopy (NVS) and first-principles pseudopotential supercell calculations. Vibrational spectra from hydrogen-charged samples with different rare-earth dopants revealed three well-defined vibrational bands in the energy ranges 20-60, 60-90, and 100-140 meV. The two lowest-energy bands were insensitive to the dopants. First-principles phonon calculations indicate that they are mainly associated with oxygen modes. In contrast, the high-energy band was very sensitive to the dopant, and in this case, calculations indicate that it is associated with OH bending modes.

Original languageEnglish (US)
Pages (from-to)199-204
Number of pages6
JournalMaterials Research Society Symposium - Proceedings
Volume496
StatePublished - Jan 1 1998
EventProceedings of the 1998 MRS Fall Symposium - Boston, MA, USA
Duration: Dec 1 1997Dec 5 1997

ASJC Scopus subject areas

  • Materials Science(all)
  • Condensed Matter Physics
  • Mechanics of Materials
  • Mechanical Engineering

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