David W. McComb, Sergei Ostanin, Dimitris Vlachos, Alan J. Craven, Michael W. Finnis, Anthony T. Paxton, Ali Alavi
Abstract:AbstractThe electron energy-loss near-edge structure (ELNES) and x-ray absorption near-edge structure (XANES) at the oxygen K-edge has been investigated in a range of yttria-stabilised zirconia (YSZ) materials. Analysis of near-edge structure reveals that both the crystallographic phase and the metal fraction of yttrium present can be determined directly from the oxygen K-edge data. Simulation of the ELNES/XANES was achieved using a pseudopotential based method to obtain the relaxed atomic coordinates combined…
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