Abstract
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. The pressure-induced changes in lattice parameter, relative volume, and spontaneous strain are reported.
| Original language | English |
|---|---|
| Article number | 204102 |
| Journal | Journal of Applied Physics |
| Volume | 126 |
| Issue number | 20 |
| DOIs | |
| State | Published - Nov 28 2019 |
Funding
The authors gratefully acknowledge funding from the Army Research Office (USARO) through Contract No. W911NF-15-1-0593. HPCAT operations at sector 16 of the APS are supported by the Department of Energy (DOE)-NNSA under Award No. DE-NA0001974 and DOE-BES under Award No. DE-FGo2-99ER45775, with partial instrumentation funding by the National Science Foundation (NSF). The high-resolution diffraction measurements conducted at beamlines 11-BM-B were supported by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, under Contract No. DE-AC02-06CH11357. The authors thank Guoyin Shen and Lingang Bai for the diamond anvil cell expertise. D.H. acknowledges financial support of China Scholarship Council. C.M.F. acknowledges support at the Oak Ridge National Laboratory by the DOE Office of Science User Facilities (No. DOE DE-AC05-00OR22725). The authors gratefully acknowledge funding from the Army Research Office (USARO) through Contract No. W911NF-15-1-0593. HPCAT operations at sector 16 of the APS are supported by the Department of Energy (DOE)-NNSA under Award No. DE-NA0001974 and DOE-BES under Award No. DE-FGo2-99ER45775, with partial instrumentation funding by the National Science Foundation (NSF). The high-resolution diffraction measurements conducted at beamlines 11-BM-B were supported by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, under Contract No. DE-AC02-06CH11357. The authors thank Guoyin Shen and Lingang Bai for the diamond anvil cell expertise. D.H. acknowledges financial support of China Scholarship Council. C.M.F. acknowledges support at the Oak Ridge National Laboratory by the DOE Office of Science User Facilities (No. DOE DE-AC05-00OR22725).This manuscript has been authored by UT-Battelle, LLC under Contract No. DE-AC05-00OR22725 with the U.S. Department of Energy. The United States Government retains and the publisher, by accepting the article for publication, acknowledges that the United States Government retains a nonexclusive, paid-up, irrevocable, worldwide license to publish or reproduce the published form of this manuscript, or allow others to do so, for United States Government purposes. The Department of Energy will provide public access to these results of federally sponsored research in accordance with the DOE Public Access Plan. This manuscript has been authored by UT-Battelle, LLC under Contract No. DE-AC05-00OR22725 with the U.S. Department of Energy. The United States Government retains and the publisher, by accepting the article for publication, acknowledges that the United States Government retains a nonexclusive, paid-up, irrevocable, worldwide license to publish or reproduce the published form of this manuscript, or allow others to do so, for United States Government purposes. The Department of Energy will provide public access to these results of federally sponsored research in accordance with the DOE Public Access Plan (http://energy.gov/ downloads/doe-public-access-plan).