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Dynamics of the Perovskite-Based High-Temperature Proton-Conducting Oxides: Theory and Experiment

Published online by Cambridge University Press:  10 February 2011

C. Karmonik ,
T. Yildirim ,
T. J. Udovic ,
J. J. Rush  and
R. Hempelmann
C. Karmonik
Affiliation:
NIST Center for Neutron Research, National Institute of Standards and Technology, Gaithersburg, Maryland 20899–0001, USA
T. Yildirim
Affiliation:
NIST Center for Neutron Research, National Institute of Standards and Technology, Gaithersburg, Maryland 20899–0001, USA University of Maryland, College Park, Maryland, 20742, USA
T. J. Udovic
Affiliation:
NIST Center for Neutron Research, National Institute of Standards and Technology, Gaithersburg, Maryland 20899–0001, USA
J. J. Rush
Affiliation:
NIST Center for Neutron Research, National Institute of Standards and Technology, Gaithersburg, Maryland 20899–0001, USA
R. Hempelmann
Affiliation:
Physikalische Chemie, Universität Saarbrücken, Germany
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Abstract

The dynamics of the doped perovskite-based high-temperature protonie 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.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 496: Symposium Y – Materials For Electrochemical Energy Storage & Conversion II… , 1997 , 199
Copyright
Copyright © Materials Research Society 1998

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References

REFERENCES

1. Colomban, P. (Ed.), Proton Conductors. Cambridge University Press (1992).10.1017/CBO9780511524806Google Scholar
2. Matzke, T., Stimming, U., Karmonik, C., Soetratmo, M., Hempelmann, R., and Guethoff, F., Solid State Ionics 86–88, p. 621 (1996).10.1016/0167-2738(96)00223-8Google Scholar
3. Paul, R. L., Analyst 122, 35R (1997).Google Scholar
4. Weast, R. C., Astle, M. J. (Ed.), Handbook of Chemistry and Physics, 62nd Edition, CRC Press, Inc., Boca Raton, Florida (1981–82).Google Scholar
5. Geller, S. and Wood, E. A., Acta Crystallogr. 9, p. 563 (1996).Google Scholar
6. Payne, M. C., Teter, M. P., Arias, D. C., and Joannopoulos, J. D., Rev. Mod. Phys. 64, p. 1045 (1992).10.1103/RevModPhys.64.1045Google Scholar
7. Yugami, H., Shibayama, Y., Matsu, S., Ishigame, M., Shin, S., Solid State Ionics 85, p.319 (1996).Google Scholar
8. Yildirim, T. Y. et al., to be published.Google Scholar