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Title: Pressure-induced structures of Si-doped HfO{sub 2}

The effect of hydrostatic pressure on the structure of Si-doped HfO{sub 2} (Si:HfO{sub 2}) was studied by using a diamond anvil cell in combination with high-energy X-ray diffraction at a synchrotron source. Diffraction data were measured in situ during compression up to pressures of 31 GPa. Si:HfO{sub 2} with 3, 5, and 9 at. % Si were found to undergo a monoclinic to orthorhombic transition at pressures between 7 and 15 GPa. Whole pattern analysis was carried out using nonpolar (Pbca) and polar (Pca2{sub 1}) crystallographic models to investigate the symmetry of the observed high-pressure orthorhombic phase. Rietveld refinement results cannot discriminate a reliable difference between the Pbca and Pca2{sub 1} structures as they nearly equally model the measured diffraction data. The pressure dependent lattice parameters, relative volume, and spontaneous strain are reported.
Authors:
; ;  [1] ;  [1] ;  [2] ; ;  [3]
  1. Department of Materials Science and Engineering, North Carolina State University Raleigh, North Carolina 27695 (United States)
  2. (China)
  3. HPCAT, Geophysical Laboratory, Carnegie Institution of Washington, Argonne, Illinois 60439 (United States)
Publication Date:
OSTI Identifier:
22489441
Resource Type:
Journal Article
Resource Relation:
Journal Name: Journal of Applied Physics; Journal Volume: 117; Journal Issue: 23; Other Information: (c) 2015 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; 71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS; COMPRESSION; CRYSTALLOGRAPHY; DIAMONDS; DOPED MATERIALS; HAFNIUM OXIDES; LATTICE PARAMETERS; MONOCLINIC LATTICES; ORTHORHOMBIC LATTICES; PRESSURE DEPENDENCE; PRESSURE RANGE GIGA PA; STRAINS; SYMMETRY; SYNCHROTRON RADIATION SOURCES; X-RAY DIFFRACTION