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Title: Crystal structure of Si-doped HfO{sub 2}

Si-doped HfO{sub 2} was prepared by solid state synthesis of the starting oxides. Using Rietveld refinement of high resolution X-ray diffraction patterns, a substitutional limit of Si in HfO{sub 2} was determined as less than 9 at. %. A second phase was identified as Cristobalite (SiO{sub 2}) rather than HfSiO{sub 4}, the latter of which would be expected from existing SiO{sub 2}-HfO{sub 2} phase diagrams. Crystallographic refinement with increased Si-dopant concentration in monoclinic HfO{sub 2} shows that c/b increases, while β decreases. The spontaneous strain, which characterizes the ferroelastic distortion of the unit cell, was calculated and shown to decrease with increasing Si substitution.
Authors:
 [1] ;  [2] ;  [3] ; ;  [1] ;  [4] ; ; ;  [1] ;  [3] ;  [5] ;  [6]
  1. Department of Materials Science and Engineering, North Carolina State University, Raleigh, North Carolina 27695 (United States)
  2. (China)
  3. (United States)
  4. Department of Materials Science and Engineering, University of Florida, Gainesville, Florida 32611 (United States)
  5. Department of Electrical and Computer Engineering, University of Florida, Gainesville, Florida 32611 (United States)
  6. Department of Mechanical and Aerospace Engineering, University of Florida, Gainesville, Florida 32611 (United States)
Publication Date:
OSTI Identifier:
22275782
Resource Type:
Journal Article
Resource Relation:
Journal Name: Journal of Applied Physics; Journal Volume: 115; Journal Issue: 3; Other Information: (c) 2014 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; CONCENTRATION RATIO; CRISTOBALITE; DOPED MATERIALS; HAFNIUM OXIDES; HAFNIUM SILICATES; MONOCLINIC LATTICES; PHASE DIAGRAMS; SILICA; SILICON OXIDES; SOLIDS; STRAINS; SYNTHESIS; X-RAY DIFFRACTION