dc.contributor.author	Cousland, GP	en_AU
dc.contributor.author	Wong, L	en_AU
dc.contributor.author	Tayebjee, M	en_AU
dc.contributor.author	Yu, DH	en_AU
dc.contributor.author	Triani, G	en_AU
dc.contributor.author	Stampfl, APJ	en_AU
dc.contributor.author	Cui, X	en_AU
dc.contributor.author	Stampfl, CM	en_AU
dc.contributor.author	Smith, AE	en_AU
dc.date.accessioned	2022-08-19T01:33:18Z	en_AU
dc.date.available	2022-08-19T01:33:18Z	en_AU
dc.date.issued	2011-02-01	en_AU
dc.date.statistics	2021-09-07	en_AU
dc.description.abstract	Cubic zirconia-based materials are candidates for use in the nuclear fuel cycle. There are three phases of ZrO2, a room temperature monoclinic phase and higher temperature tetragonal and cubic phases. The cubic phase of zirconia, in comparison to the other phases, exhibits a very low thermal conductivity, allowing the material to be potentially used in high temperature fission and fusion environments. Interestingly, the cubic-phase may be stabilised at room temperature through the addition of small quantities of other oxides for example, Y2O3, CaO and Ce2O3. Recent ab initio calculations for yttria-stablised zirconia (YSZ) predict the atomic geometry for various oxygen-vacancy containing structures [1]. In particular, a set of “rules” is used to establish a structure for 6.25 Mol % [1,2]. This model is extended to a yttria content of 9.375 Mol % and compared with a sample of 9.5 Mol % yttria. Using this model, core-level shifts are estimated as changes in binding energy obtained from density-functional theory (DFT) calculations, due to the different chemical environments. The partial density-of-states of Y atoms differ depending upon whether there are oxygen vacancies at nearest-neighbour sites to the Zr atoms. Experimentally, a number of different core-levels and Auger-lines are acquired across the L-edges of Zr and Y. By measuring through the Y Ledge resonance, three distinct Zr environments and three distinct oxygen environments are observed in photoelectron peaks. The area under each peak is plotted against photon energy.	en_AU
dc.identifier.citation	Cousland, G., Wong, L., Tayebjee, M., Yu, D., Triani, G., Stampfl, A. P. J., Ciu, X., Stampfl, C. M., & Smith, A. (2011). The structure of yttria-stabilised zirconia: a combined medium energy photoemission and ab-initio investigation. Paper presented to the Australian and New Zealand Institutes of Physics 35th Annual Condensed Matter and Materials Meeting Charles Sturt University, Wagga Wagga, NSW 2nd - 4th February, 2011. Retrieved from: https://physics.org.au/wp-content/uploads/cmm/2011/	en_AU
dc.identifier.conferenceenddate	4 February 2011	en_AU
dc.identifier.conferencename	Australian and New Zealand Institutes of Physics 35th Annual Condensed Matter and Materials Meeting	en_AU
dc.identifier.conferenceplace	Wagga Wagga, NSW	en_AU
dc.identifier.conferencestartdate	2 February 2011	en_AU
dc.identifier.isbn	978-0-646-55969-8	en_AU
dc.identifier.uri	https://physics.org.au/wp-content/uploads/cmm/2011/	en_AU
dc.identifier.uri	https://apo.ansto.gov.au/dspace/handle/10238/13576	en_AU
dc.language.iso	en	en_AU
dc.publisher	Australian Institute of Physics	en_AU
dc.subject	Yttrium	en_AU
dc.subject	Zirconium compounds	en_AU
dc.subject	Ambient temperature	en_AU
dc.subject	Nuclear fuels	en_AU
dc.subject	Thermal conductivity	en_AU
dc.subject	Temperature range 0400-1000 K	en_AU
dc.subject	Fission	en_AU
dc.subject	Oxygen	en_AU
dc.subject	Vacancies	en_AU
dc.title	The structure of yttria-stabilised zirconia: a combined medium energy photoemission and ab-initio investigation	en_AU
dc.type	Conference Abstract	en_AU

The structure of yttria-stabilised zirconia: a combined medium energy photoemission and ab-initio investigation

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