Crystal structure of Si-doped HfO{sub 2}

Journal Article · Tue Jan 21 00:00:00 EST 2014 · Journal of Applied Physics

DOI:https://doi.org/10.1063/1.4861733· OSTI ID:22275782

Zhao, Lili ^[1]; Nelson, Matthew; Fancher, Chris M. ^[1]; Aldridge, Henry ^[2]; Iamsasri, Thanakorn; Forrester, Jennifer S.; Nishida, Toshikazu ^[3]; Moghaddam, Saeed ^[4]

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1. Department of Materials Science and Engineering, North Carolina State University, Raleigh, North Carolina 27695 (United States)
2. Department of Materials Science and Engineering, University of Florida, Gainesville, Florida 32611 (United States)
3. Department of Electrical and Computer Engineering, University of Florida, Gainesville, Florida 32611 (United States)
4. Department of Mechanical and Aerospace Engineering, University of Florida, Gainesville, Florida 32611 (United States)

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.

• OSTI ID: 22275782
• Journal Information: Journal of Applied Physics, Vol. 115, Issue 3; Other Information: (c) 2014 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA); ISSN 0021-8979
• Country of Publication: United States
• Language: English

Related Subjects

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