Investigation of the vibrational properties of cubic yttria-stabilized zirconia: a combined experimental and theoretical study

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dc.contributor.authorCousland, GPen_AU
dc.contributor.authorMole, RAen_AU
dc.contributor.authorElcombe, MMen_AU
dc.contributor.authorCui, XYen_AU
dc.contributor.authorSmith, AEen_AU
dc.contributor.authorStampfl, CMen_AU
dc.contributor.authorStampfl, APJen_AU
dc.date.accessioned2016-06-29T05:20:22Zen_AU
dc.date.available2016-06-29T05:20:22Zen_AU
dc.date.issued2014-03en_AU
dc.date.statistics2016-06-29en_AU
dc.description.abstractA combined experimental and theoretical investigation into the vibrational properties of cubic 8–9 mol% yttria-stabilized zirconia (YSZ) is presented. Measurements of acoustic phonon dispersion curves have been obtained from inelastic neutron scattering investigations using a triple axis spectrometer, as well as calculations of the vibrational density-of-states (vDOS) using density-functional theory. The present measurements agree closely with, and extend, previously published results. The phonons become broader and decrease in intensity as the Brillouin zone boundary is approached, particularly in the Γ–Δ–X direction. Interestingly, there is evidence of a previously unreported low energy phonon band (8–9 meV) in the Γ–Σ–X direction, which could possibly be related to the stabilization (by yttria doping) of the imaginary mode of cubic ZrO2 about the X-point. Compared to pure cubic ZrO2, the vDOS of YSZ are broader and extend to higher frequency. Furthermore, the prominent Zr-related feature in the vDOS of c-ZrO2 at ≈14 meV is shifted to higher energy in the vDOS of YSZ. This behavior is consistent with the measured dispersion bands (first acoustic branch in the Γ–X direction, about the X-point) of YSZ which is higher in energy by a similar amount relative to that of c-ZrO2, thus providing support for the structural model considered. Crown copyright © 2013 Published by Elsevier Ltd.en_AU
dc.identifier.citationCousland, G. P., Mole, R. A., Elcombe, M. M., Cui, X. Y., Smith, A. E., Stampfl, C. M., & Stampfl, A. P. J. (2014). Investigation of the vibrational properties of cubic yttria-stabilized zirconia: a combined experimental and theoretical study. Journal of Physics and Chemistry of Solids, 75(3), 351-357. doi:10.1016/j.jpcs.2013.10.012en_AU
dc.identifier.govdoc6781en_AU
dc.identifier.issn0022-3697en_AU
dc.identifier.issue3en_AU
dc.identifier.journaltitleJournal of Physics and Chemistry of Solidsen_AU
dc.identifier.pagination351-357en_AU
dc.identifier.urihttps://doi.org/10.1016/j.jpcs.2013.10.012en_AU
dc.identifier.urihttp://apo.ansto.gov.au/dspace/handle/10238/7117en_AU
dc.identifier.volume75en_AU
dc.language.isoenen_AU
dc.publisherElsevieren_AU
dc.subjectOxidesen_AU
dc.subjectPhononsen_AU
dc.subjectExperiment planningen_AU
dc.subjectZirconiumen_AU
dc.subjectScatteringen_AU
dc.subjectBrillouin effecten_AU
dc.titleInvestigation of the vibrational properties of cubic yttria-stabilized zirconia: a combined experimental and theoretical studyen_AU
dc.typeJournal Articleen_AU
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