Structure of HfO2 modified with Y, Gd, and Zr at ambient conditions and high pressures

Johnson, Brienne; Fancher, Chris M.; Hou, Dong; Jones, Jacob L.

doi:10.1063/1.5121024

Title: Structure of HfO₂ modified with Y, Gd, and Zr at ambient conditions and high pressures

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. Finally, the pressure-induced changes in lattice parameter, relative volume, and spontaneous strain are reported.

Authors:

Johnson, Brienne ^[1];

^[2];

^[1]; Jones, Jacob L. ^[1]

North Carolina State Univ., Raleigh, NC (United States)
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)

Publication Date:: 2019-11-25

Research Org.:: Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)

Sponsoring Org.:: USDOE National Nuclear Security Administration (NNSA); USDOE Office of Science (SC), Basic Energy Sciences (BES); Army Research Office (USARO)

OSTI Identifier:: 1607279

Alternate Identifier(s):: OSTI ID: 1575803

Grant/Contract Number:: AC05-00OR22725; NA0001974; FG02-99ER45775; AC02-06CH11357; W911NF-15-1-0593

Resource Type:: Accepted Manuscript

Journal Name:: Journal of Applied Physics

Additional Journal Information:: Journal Volume: 126; Journal Issue: 20; Journal ID: ISSN 0021-8979

Publisher:: American Institute of Physics (AIP)

Country of Publication:: United States

Language:: English

Subject:: 36 MATERIALS SCIENCE; hafnia; x-ray diffraction; monoclinic; orthorhombic; dopants

Citation Formats


                    Johnson, Brienne, Fancher, Chris M., Hou, Dong, and Jones, Jacob L. Structure of HfO2 modified with Y, Gd, and Zr at ambient conditions and high pressures.  United States: N. p., 2019. 
Web.  doi:10.1063/1.5121024.

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                    Johnson, Brienne, Fancher, Chris M., Hou, Dong, & Jones, Jacob L. Structure of HfO2 modified with Y, Gd, and Zr at ambient conditions and high pressures.  United States.  https://doi.org/10.1063/1.5121024

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                    Johnson, Brienne, Fancher, Chris M., Hou, Dong, and Jones, Jacob L. Mon .  
"Structure of HfO2 modified with Y, Gd, and Zr at ambient conditions and high pressures".  United States.  https://doi.org/10.1063/1.5121024.  https://www.osti.gov/servlets/purl/1607279.

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@article{osti_1607279,

  title        = {Structure of HfO2 modified with Y, Gd, and Zr at ambient conditions and high pressures},

  author       = {Johnson, Brienne and Fancher, Chris M. and Hou, Dong and Jones, Jacob L.},

  abstractNote = {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. Finally, the pressure-induced changes in lattice parameter, relative volume, and spontaneous strain are reported.},

  doi          = {10.1063/1.5121024},

  journal      = {Journal of Applied Physics},

  number       = 20,

  volume       = 126,

  place        = {United States},

  year         = {2019},

  month        = {11}

}

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Title: Structure of HfO2 modified with Y, Gd, and Zr at ambient conditions and high pressures

Abstract

Citation Formats

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Ferroelectric HfO 2 -based materials for next-generation ferroelectric memories journal, June 2016

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Downscaling ferroelectric field effect transistors by using ferroelectric Si-doped HfO2 journal, October 2013

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Title: Structure of HfO₂ modified with Y, Gd, and Zr at ambient conditions and high pressures

Hafnia and hafnia-toughened ceramics
journal, January 1992

Ferroelectric HfO ₂ -based materials for next-generation ferroelectric memories
journal, June 2016

Phase relationships in the Hafnia-Gadolinia system
journal, October 1977

Downscaling ferroelectric field effect transistors by using ferroelectric Si-doped HfO2
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Pressure-induced phase transitions and volume changes in ${HfO}_{2}$ up to 50 GPa
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Crystal Structure of Monoclinic Hafnia and Comparison with Monoclinic Zirconia
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Ferroelectricity in Si-Doped HfO ₂ Revealed: A Binary Lead-Free Ferroelectric
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Impact of different dopants on the switching properties of ferroelectric hafniumoxide
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EXPGUI , a graphical user interface for GSAS
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Ferroelectric Zr _0.5 Hf _0.5 O ₂ thin films for nonvolatile memory applications
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On the structural origins of ferroelectricity in HfO ₂ thin films
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Incipient Ferroelectricity in Al-Doped HfO2 Thin Films
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