Direct interpretation of the X-ray and neutron three-dimensional difference pair distribution functions (3D-ΔPDFs) of yttria-stabilized zirconia

Schmidt, E.M.; Neder, R.B.; Martin, J.D.; Minelli, A.; Lemée, M.-H.; Goodwin, A.L.

doi:10.1107/S205252062300121X

Acta Crystallographica Section B
Acta Crystallographica
Section B STRUCTURAL SCIENCE, CRYSTAL ENGINEERING AND MATERIALS

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Figure 1
Schematics of local relaxations in YSZ as reported in the literature (Frey et al., 2005

; Khan et al., 1998

; Fèvre et al., 2005

). Oxygen ions (red) relax along 〈1, 0, 0〉 towards a neighbouring vacancy, next neighbour (NN) Zr ions relax along 〈1, 1, 1〉 away from the vacancy, while next nearest neighbour (NNN) dopant ions do not show significant relaxations.

STRUCTURAL SCIENCE
CRYSTAL ENGINEERING
MATERIALS

ISSN: 2052-5206

Volume 79| Part 2| April 2023| Pages 138-147

https://doi.org/10.1107/S205252062300121X

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