Structure of HfO2 modified with Y, Gd, and Zr at ambient conditions and high pressures
High-resolution and high-pressure X-ray diffraction measurements were performed to determine the effects of 5% Y, 3% Gd, and 50% Zr substitution on the crystal structure and polymorphism of HfO2. High-resolution experiments at ambient pressure show a mixture of monoclinic and cubic fluorite phases in 5% Y:HfO2 and 3% Gd:HfO2, while 50% Zr:HfO2 formed a monoclinic, single-phase solid solution. Crystallographic refinement using the Rietveld method indicates that Y and Gd substitute for Hf in both the monoclinic and cubic phases. High-pressure X-ray diffraction was performed in situ up to 31 GPa and shows that the pressure-induced phase transitions were reduced with the addition of either Y, Gd, or Zr relative to the transition pressures in undoped HfO2. Finally, the pressure-induced changes in lattice parameter, relative volume, and spontaneous strain are reported.
- Research Organization:
- Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)
- Sponsoring Organization:
- Army Research Office (USARO); USDOE National Nuclear Security Administration (NNSA); USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Grant/Contract Number:
- AC02-06CH11357; AC05-00OR22725; FG02-99ER45775; NA0001974
- OSTI ID:
- 1607279
- Journal Information:
- Journal of Applied Physics, Journal Name: Journal of Applied Physics Journal Issue: 20 Vol. 126; ISSN 0021-8979
- Publisher:
- American Institute of Physics (AIP)Copyright Statement
- Country of Publication:
- United States
- Language:
- English
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