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 language | English (US) |
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Pages (from-to) | 199-204 |
Number of pages | 6 |
Journal | Materials Research Society Symposium - Proceedings |
Volume | 496 |
State | Published - Jan 1 1998 |
Event | Proceedings of the 1998 MRS Fall Symposium - Boston, MA, USA Duration: Dec 1 1997 → Dec 5 1997 |
ASJC Scopus subject areas
- Materials Science(all)
- Condensed Matter Physics
- Mechanics of Materials
- Mechanical Engineering