A medium-energy photoemission and ab-initio investigation of cubic yttria-stabilised zirconia

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dc.contributor.authorCousland, GPen_AU
dc.contributor.authorCui, XYen_AU
dc.contributor.authorSmith, AEen_AU
dc.contributor.authorStampfl, CMen_AU
dc.contributor.authorWong, Len_AU
dc.contributor.authorTayebjee, Men_AU
dc.contributor.authorYu, DHen_AU
dc.contributor.authorTriani, Gen_AU
dc.contributor.authorEvans, PJen_AU
dc.contributor.authorRuppender, HJen_AU
dc.contributor.authorJang, LYen_AU
dc.contributor.authorStampfl, APJen_AU
dc.date.accessioned2017-06-16T00:06:29Zen_AU
dc.date.available2017-06-16T00:06:29Zen_AU
dc.date.issued2014-03-01en_AU
dc.date.statistics2017-05-04en_AU
dc.description.abstractExperimental and theoretical investigations into the electronic properties and structure of cubic yttria-stabilized zirconia are presented. Medium-energy x-ray photoemission spectroscopy measurements have been carried out for material with a concentration of 8-9 mol. % yttria. Resonant photoemission spectra are obtained for a range of photon energies that traverse the L2 absorption edge for both zirconium and yttrium. Through correlation with results from density-functional theory (DFT) calculations, based on structural models proposed in the literature, we assign photoemission peaks appearing in the spectra to core lines and Auger transitions. An analysis of the core level features enables the identification of shifts in the core level energies due to different local chemical environments of the constituent atoms. In general, each core line feature can be decomposed into three contributions, with associated energy shifts. Their identification with results of DFT calculations carried out for proposed atomic structures, lends support to these structural models. The experimental results indicate a multi-atom resonant photoemission effect between nearest-neighbour oxygen and yttrium atoms. Near-edge x-ray absorption fine structure spectra for zirconium and yttrium are also presented, which correlate well with calculated Zr- and Y-4d electron partial density-of-states and with Auger electron peak area versus photon energy curve. © 2014, AIP Publishing LLC.en_AU
dc.identifier.articlenumber143502en_AU
dc.identifier.citationCousland, G. P., Cui, X. Y., Smith, A. E., Stampfl, C. M., Wong, L., Tayebjee, M., Yu, D., Triani, G., Evans, P. J., Ruppender, H. J., Jang, L. Y., & Stampfl, A. P. J. (2014). A medium-energy photoemission and ab-initio investigation of cubic yttria-stabilised zirconia. Journal of Applied Physics, 115(14), 143502. doi:10.1063/1.4870042en_AU
dc.identifier.govdoc6780en_AU
dc.identifier.issn143502en_AU
dc.identifier.issue14en_AU
dc.identifier.journaltitleJournal of Applied Physicsen_AU
dc.identifier.urihttps://doi.org/10.1063/1.4870042en_AU
dc.identifier.urihttp://apo.ansto.gov.au/dspace/handle/10238/8720en_AU
dc.identifier.volume115en_AU
dc.language.isoenen_AU
dc.publisherAIP Scitationen_AU
dc.subjectZirconiumen_AU
dc.subjectX-ray tubesen_AU
dc.subjectPhotoemissionen_AU
dc.subjectSpectroscopyen_AU
dc.subjectAbsorptionen_AU
dc.subjectOxygenen_AU
dc.titleA medium-energy photoemission and ab-initio investigation of cubic yttria-stabilised zirconiaen_AU
dc.typeJournal Articleen_AU
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