Crystal structure of Si-doped HfO2

Lili Zhao; Matthew Nelson; Henry Aldridge; Thanakorn Iamsasri; Chris M. Fancher; Jennifer S. Forrester; Toshikazu Nishida; Saeed Moghaddam; Jacob L. Jones

doi:10.1063/1.4861733

Crystal structure of Si-doped HfO₂

Lili Zhao, Matthew Nelson, Henry Aldridge, Thanakorn Iamsasri, Chris M. Fancher, Jennifer S. Forrester, Toshikazu Nishida, Saeed Moghaddam, Jacob L. Jones

Research output: Contribution to journal › Article › peer-review

20 Scopus citations

Abstract

Si-doped HfO₂ 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 HfO₂ was determined as less than 9 at. %. A second phase was identified as Cristobalite (SiO₂) rather than HfSiO₄, the latter of which would be expected from existing SiO₂-HfO₂ phase diagrams. Crystallographic refinement with increased Si-dopant concentration in monoclinic HfO₂ 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.

Original language	English
Article number	034104
Journal	Journal of Applied Physics
Volume	115
Issue number	3
DOIs	https://doi.org/10.1063/1.4861733
State	Published - Jan 21 2014
Externally published	Yes

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title = "Crystal structure of Si-doped HfO2",

abstract = "Si-doped HfO2 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 HfO2 was determined as less than 9 at. %. A second phase was identified as Cristobalite (SiO2) rather than HfSiO4, the latter of which would be expected from existing SiO2-HfO2 phase diagrams. Crystallographic refinement with increased Si-dopant concentration in monoclinic HfO2 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.",

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T1 - Crystal structure of Si-doped HfO2

AU - Zhao, Lili

AU - Nelson, Matthew

AU - Aldridge, Henry

AU - Iamsasri, Thanakorn

AU - Fancher, Chris M.

AU - Forrester, Jennifer S.

AU - Nishida, Toshikazu

AU - Moghaddam, Saeed

AU - Jones, Jacob L.

PY - 2014/1/21

Y1 - 2014/1/21

N2 - Si-doped HfO2 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 HfO2 was determined as less than 9 at. %. A second phase was identified as Cristobalite (SiO2) rather than HfSiO4, the latter of which would be expected from existing SiO2-HfO2 phase diagrams. Crystallographic refinement with increased Si-dopant concentration in monoclinic HfO2 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.

AB - Si-doped HfO2 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 HfO2 was determined as less than 9 at. %. A second phase was identified as Cristobalite (SiO2) rather than HfSiO4, the latter of which would be expected from existing SiO2-HfO2 phase diagrams. Crystallographic refinement with increased Si-dopant concentration in monoclinic HfO2 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.

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Crystal structure of Si-doped HfO₂

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