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Effect of relaxation on the oxygenK-edge electron energy-loss near-edge structure in yttria-stabilized zirconia
Physical Review B (Condensed Matter)
The electron energy-loss near-edge structure ͑ELNES͒ at the oxygen K-edge has been investigated in a range of yttria-stabilized zirconia ͑YSZ͒ materials. The electronic structure of the three polymorphs of pure ZrO 2 and of the doped YSZ structure close to the 33 mol %Y 2 O 3 composition have been calculated using a full-potential linear muffin-tin orbital method ͑NFP-LMTO͒ as well as a pseudopotential based technique. Calculations of the ELNES dipole transition matrix elements in the frameworkdoi:10.1103/physrevb.62.14728 fatcat:ibb6hax5k5b3nnrwiem6uoc6gi