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Neutron-diffraction study of the cubic-tetragonal phase structural transition in the single crystals of the solid solutions of zirconium and yttrium oxides

https://doi.org/10.32362/2410-6593-2021-16-1-55-66

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Abstract

Objectives. The determination of the phase relations, crystallographic characteristics, microstructure features, and atomic crystal structure of zirconium oxide crystals that are partially and completely stabilized by yttrium oxide additives, and the identification of the crystallographic and crystal-chemical correlations with the physicochemical properties of single crystals.

Methods. The neutron structure of the crystals was studied using the neutron time-of-flight and constant wavelength methods using a high-resolution Fourier diffractometer on the IBR-2 pulsed fast reactor and a four-circle neutron diffractometer “Syntex.” Single crystals were grown by directed crystallization from the melts of mixtures (1 − х)ZrO2 ∙хY2O3 , х = 0.03 and х = 0.12 with different growth rates (10 and 40 mm/h).

Results. It was observed that when growing single crystals with x = 0.03–0.05, the crystal was stratified into cubic and tetragonal phases, and the ratio between the phases depended on the growth rate. At a growth rate of 40 mm/h, the content of the cubic phase was insignificant. In the crystals of partially stabilized zirconium dioxide (ZrO2) with the additions of 3 mol % Y2O3, the coherent coexistence of cubic and tetragonal phases was established, and the twin law for a tetragonal component (rotation of unit cell axis by 90° around the a (b) axis) that was observed during the phase transition from high-temperature cubic phase to tetragonal phase was determined. For the fully stabilized zirconium oxide of the cubic symmetry (with 12 mol % Y2O3), the 0.3 Å displacements of oxygen atoms from their partial structural positions in the directions [100] and [111] were determined. These displacements correlated with the directions of the ion transport.

Conclusions. Previous studies have shown that the ratio between the cubic and tetragonal phases of the single crystals of the ZrO2 –Y2O3 system depends on the growth rate of the single crystals. The content of Y2O3 in the cubic and tetragonal phases of a single crystal was determined using the non-destructive neutronography method on the same volume sample of a solid solution of this system. Moreover, the displacements of oxygen atoms from the main position of the crystal were determined.

About the Authors

V. A. Sarin
MIREA – Russian Technological University
Russian Federation

Viktor A. Sarin, Cand. Sci. (Phys.–Math.), Leading Engineer, Research Institute of Solid-State Electronics Materials. Scopus Author ID 7005455400

78, Vernadskogo pr., Moscow, 119454



A. A. Bush
MIREA – Russian Technological University
Russian Federation

Alexander A. Bush, Dr. Sci. (Eng.), Professor, Director of the Research Institute of Solid-State Electronics Materials. Scopus Author ID 7201882802, Researcher ID R-2287-2016

78, Vernadskogo pr., Moscow, 119454



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Supplementary files

1. Fig. 6. Crystal (1 − x)ZrO2∙xY2O3 with x = 0.12. The cross section of the unit cell z/c = 0.25.
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2. This is to certify that the paper titled Neutron-diffraction study of the cubic-tetragonal phase structural transition in the single crystals of the solid solutions of zirconium and yttrium oxides commissioned to us by Viktor A. Sarin and Alexander A. Bush has been edited for English language and spelling by Enago, an editing brand of Crimson Interactive Inc.
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  • The neutron diffraction study of the crystal structure of the single crystals of yttrium-stabilized zirconium oxide (1 − x)ZrO2∙Y2O3, where = 0.03 and = 0.12, obtained at the growth rates of 10 and 40 mm/h, were performed.
  • The separation of crystals into cubic and tetragonal fractions was determined, and the ratio between the fractions depends on the growth rate. Moreover, the microstructure of the samples and the “reciprocal lattice” of the single crystals were investigated using X-ray diffraction photometry.
  • For the crystals with = 0.03, the coherent coexistence of the cubic and tetragonal phases was established, and the law of twinning for the tetragonal component was determined.
  • For the cubic crystals with = 0.12, the 3 Å displacements of oxygen atoms from their partial structural positions in the directions [100] and [111] that correlate with the directions of ion transport were determined.

For citation:


Sarin V.A., Bush A.A. Neutron-diffraction study of the cubic-tetragonal phase structural transition in the single crystals of the solid solutions of zirconium and yttrium oxides. Fine Chemical Technologies. 2021;16(1):55-66. https://doi.org/10.32362/2410-6593-2021-16-1-55-66

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