Direct interpretation of the X-ray and neutron three-dimensional difference pair distribution functions (3D-ΔPDFs) of yttria-stabilized zirconia.
Acta Crystallogr B Struct Sci Cryst Eng Mater
; 79(Pt 2): 138-147, 2023 Apr 01.
Article
em En
| MEDLINE
| ID: mdl-36920878
ABSTRACT
Three-dimensional difference pair distribution functions (3D-ΔPDFs) from X-ray and neutron diffraction experiments are reported for yttria-stabilized zirconia (Zr0.82Y0.18O1.91). A quantitative analysis of the signatures in the three-dimensional difference pair distribution functions is used to establish that oxygen ions neighbouring a vacancy shift by 0.525â
(5)â
Å along ⟨1,â
0,â
0⟩ towards the vacancy while metal ions neighbouring a vacancy shift by 0.465â
(2)â
Å along ⟨1,â
1,â
1⟩ away from the vacancy. The neutron 3D-ΔPDF shows a tendency for vacancies to cluster along ⟨½,â
½,â
½⟩, which results in sixfold coordinated metal ions.
Texto completo:
1
Coleções:
01-internacional
Base de dados:
MEDLINE
Idioma:
En
Ano de publicação:
2023
Tipo de documento:
Article