High-pressure behavior of A 2 B 2 O 7 pyrochlore (A=Eu, Dy; B=Ti, Zr)

Rittman, Dylan R.; Turner, Katlyn M.; Park, Sulgiye; Fuentes, Antonio F.; Yan, Jinyuan; Ewing, Rodney C.; Mao, Wendy L.

doi:10.1063/1.4974871

Title: High-pressure behavior of A ₂ B ₂ O ₇ pyrochlore (A=Eu, Dy; B=Ti, Zr)

Abstract

In situ high-pressure X-ray diffraction and Raman spectroscopy were used to determine the influence of composition on the high-pressure behavior of A₂B₂O₇ pyrochlore (A = Eu, Dy; B = Ti, Zr) up to ~50 GPa. Based on X-ray diffraction results, all compositions transformed to the high-pressure cotunnite structure. The B-site cation species had a larger effect on the transition pressure than the A-site cation species, with the onset of the phase transformation occurring at ~41 GPa for B = Ti and ~16 GPa B = Zr. However, the A-site cation affected the kinetics of the phase transformation, with the transformation for compositions with the smaller ionic radii, i.e., A = Dy, proceeding faster than those with a larger ionic radii, i.e., A = Eu. These results were consistent with previous work in which the radius-ratio of the A- and B-site cations determined the energetics of disordering, and compositions with more similarly sized A- and B-site cations had a lower defect formation energy. Raman spectra revealed differences in the degree of short-range order of the different compositions. Due to the large phase fraction of cotunnite at high pressure for B = Zr compositions, Raman modes for cotunnite could be observed, withmore »« less

Authors:

^[1];

^[1]; Park, Sulgiye ^[1];

^[2]; Yan, Jinyuan ^[3]; Ewing, Rodney C. ^[1]; Mao, Wendy L. ^[4]

Stanford Univ., CA (United States). Dept. of Geological Sciences
National Polytechnic Institute Saltillo Unit, Coahuila (Mexico)
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). Advanced Light Source
Stanford Univ., CA (United States). Dept. of Geological Sciences; SLAC National Accelerator Lab., Menlo Park, CA (United States). Stanford Inst. for Materials and Energy Sciences

Publication Date:: 2017-01-24

Research Org.:: SLAC National Accelerator Lab., Menlo Park, CA (United States); Energy Frontier Research Centers (EFRC) (United States). Materials Science of Actinides (MSA); Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES)

OSTI Identifier:: 1360963

Alternate Identifier(s):: OSTI ID: 1361754; OSTI ID: 1468338

Grant/Contract Number:: AC02-76SF00515; SC0001089; NA0001974; FG02-99ER45775; AC02-06CH11357; AC02-05CH11231

Resource Type:: Accepted Manuscript

Journal Name:: Journal of Applied Physics

Additional Journal Information:: Journal Volume: 121; Journal Issue: 4; Journal ID: ISSN 0021-8979

Publisher:: American Institute of Physics (AIP)

Country of Publication:: United States

Language:: English

Subject:: 37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY; 36 MATERIALS SCIENCE

Citation Formats


                    Rittman, Dylan R., Turner, Katlyn M., Park, Sulgiye, Fuentes, Antonio F., Yan, Jinyuan, Ewing, Rodney C., and Mao, Wendy L. High-pressure behavior of A 2 B 2 O 7 pyrochlore (A=Eu, Dy; B=Ti, Zr).  United States: N. p., 2017. 
Web.  doi:10.1063/1.4974871.

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                    Rittman, Dylan R., Turner, Katlyn M., Park, Sulgiye, Fuentes, Antonio F., Yan, Jinyuan, Ewing, Rodney C., & Mao, Wendy L. High-pressure behavior of A 2 B 2 O 7 pyrochlore (A=Eu, Dy; B=Ti, Zr).  United States.  https://doi.org/10.1063/1.4974871

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                    Rittman, Dylan R., Turner, Katlyn M., Park, Sulgiye, Fuentes, Antonio F., Yan, Jinyuan, Ewing, Rodney C., and Mao, Wendy L. Tue .  
"High-pressure behavior of A 2 B 2 O 7 pyrochlore (A=Eu, Dy; B=Ti, Zr)".  United States.  https://doi.org/10.1063/1.4974871.  https://www.osti.gov/servlets/purl/1360963.

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@article{osti_1360963,

  title        = {High-pressure behavior of A 2 B 2 O 7 pyrochlore (A=Eu, Dy; B=Ti, Zr)},

  author       = {Rittman, Dylan R. and Turner, Katlyn M. and Park, Sulgiye and Fuentes, Antonio F. and Yan, Jinyuan and Ewing, Rodney C. and Mao, Wendy L.},

  abstractNote = {In situ high-pressure X-ray diffraction and Raman spectroscopy were used to determine the influence of composition on the high-pressure behavior of A2B2O7 pyrochlore (A = Eu, Dy; B = Ti, Zr) up to ~50 GPa. Based on X-ray diffraction results, all compositions transformed to the high-pressure cotunnite structure. The B-site cation species had a larger effect on the transition pressure than the A-site cation species, with the onset of the phase transformation occurring at ~41 GPa for B = Ti and ~16 GPa B = Zr. However, the A-site cation affected the kinetics of the phase transformation, with the transformation for compositions with the smaller ionic radii, i.e., A = Dy, proceeding faster than those with a larger ionic radii, i.e., A = Eu. These results were consistent with previous work in which the radius-ratio of the A- and B-site cations determined the energetics of disordering, and compositions with more similarly sized A- and B-site cations had a lower defect formation energy. Raman spectra revealed differences in the degree of short-range order of the different compositions. Due to the large phase fraction of cotunnite at high pressure for B = Zr compositions, Raman modes for cotunnite could be observed, with more modes recorded for A = Eu than A = Dy. These additional modes are attributed to increased short-to-medium range ordering in the initially pyrochlore structured Eu2Zr2O7 as compared with the initially defect-fluorite structured Dy2Zr2O7.},

  doi          = {10.1063/1.4974871},

  journal      = {Journal of Applied Physics},

  number       = 4,

  volume       = 121,

  place        = {United States},

  year         = {2017},

  month        = {1}

}

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Title: High-pressure behavior of A 2 B 2 O 7 pyrochlore (A=Eu, Dy; B=Ti, Zr)

Abstract

Citation Formats

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Preparation, XRD and Raman spectroscopic studies on new compounds RE2Hf2O7 (RE=Dy, Ho, Er, Tm, Lu, Y): Pyrochlores or defect-fluorite? journal, July 2006

Order–disorder transition in the Nd2−yYyZr2O7 system: Probed by X-ray diffraction and Raman spectroscopy journal, January 2010

Nuclear waste disposal—pyrochlore (A2B2O7): Nuclear waste form for the immobilization of plutonium and “minor” actinides journal, June 2004

Synthesis of disordered pyrochlores, Ti2O7 (, Gd and Dy), by mechanical milling of constituent oxides journal, April 2005

Pressure-Induced Disordering and Anomalous Lattice Expansion in La 2 Zr 2 O 7 Pyrochlore journal, June 2010

Pressure induced structural transformation in Gd 2 Ti 2 O 7 and Gd 2 Zr 2 O 7 journal, January 2011

High ionic conductivity in the pyrochlore-type Gd2−yLayZr2O7 solid solution (0≤y≤1) journal, November 2008

Probing disorder in isometric pyrochlore and related complex oxides journal, February 2016

High-pressure Raman study of CeO 2 to 35 GPa and pressure-induced phase transformation from the fluorite structure journal, March 1988

Synthesis, characterization, and biocompatibility of lanthanum titanate nanoparticles in albino mice in a sex-specific manner journal, January 2020

Pressure-induced phase transition of La 2 Zr 2 O 7 and La 0.5 Gd 1.5 Zr 2 O 7 pyrochlore journal, January 2019

Pressure-induced order–disorder transition in Gd 1.5 Ce 0.5 Ti 2 O 7 pyrochlore journal, September 2019

Pressure-Tuned Interactions in Frustrated Magnets: Pathway to Quantum Spin Liquids? journal, December 2019

Title: High-pressure behavior of A ₂ B ₂ O ₇ pyrochlore (A=Eu, Dy; B=Ti, Zr)

Connection between oxygen-ion conductivity of pyrochlore fuel-cell materials and structural change with composition and temperature
journal, April 2000

Raman and x-ray absorption spectroscopy study of the phase evolution induced by mechanical milling and thermal treatments in $R$ $_{2}$ Ti $_{2}$ O $_{7}$ pyrochlores
journal, September 2011

Oxygen migration in A2B2O7 pyrochlores
journal, April 2001

Quantum and thermal spin relaxation in the diluted spin ice ${Dy}_{2 - x} M_{x} {Ti}_{2} O_{7}$ $(M = Lu, Y)$
journal, November 2004

Structural distortions and phase transformations in Sm2Zr2O7 pyrochlore at high pressures
journal, June 2007

High-pressure x-ray diffraction study of ${CeO}_{2}$ to 70 GPa and pressure-induced phase transformation from the fluorite structure
journal, October 1988

Disorder in Pyrochlore Oxides
journal, August 2000

Phonon spectrum, thermodynamic properties, and pressure-temperature phase diagram of uranium dioxide
journal, September 2013

High pressure phase transitions and compressibilities of Er[sub 2]Zr[sub 2]O[sub 7] and Ho[sub 2]Zr[sub 2]O[sub 7]
journal, January 2008

Silicone fluid as a high‐pressure medium in diamond anvil cells
journal, February 1996

Nanoscale manipulation of the properties of solids at high pressure with relativistic heavy ions
journal, September 2009

Behavior of actinide dioxides under pressure: $U O_{2}$ and $Th O_{2}$
journal, July 2004

Dirac Strings and Magnetic Monopoles in the Spin Ice Dy2Ti2O7
journal, September 2009

Rare-earth titanates and stannates of pyrochlore structure; vibrational spectra and force fields
journal, April 1983

Influence of structural disorder on the dynamics of mobile oxygen ions in Dy2(Ti1−yZry)2O7
journal, November 2007

High-pressure Raman and x-ray study of the spin-frustrated pyrochlore ${Gd}_{2} {Ti}_{2} O_{7}$
journal, August 2006

Systematics of the pyrochlore structure type, ideal A2B2X6Y
journal, June 1984

Phase Stability and Pressure Dependence of Defect Formation in ${Gd}_{2} {Ti}_{2} O_{7}$ and ${Gd}_{2} {Zr}_{2} O_{7}$ Pyrochlores
journal, January 2008

Defect formation energies in A 2 B 2 O 7 pyrochlores
journal, October 2015

The Structural Transformation from the Pyrochlore Structure, A2B2O7, to the Fluorite Structure, AO2, Studied by Raman Spectroscopy and Defect Chemistry Modeling
journal, August 2001

Pressure-induced order–disorder transitions in pyrochlore RE2Ti2O7 (RE=Y, Gd)
journal, September 2006

Zirconate pyrochlores under high pressure
journal, January 2010

Characterization of Anion Disorder in Zirconate A ₂ B ₂ O ₇ Compounds by Raman Spectroscopy
journal, September 1979

Structural changes and pressure-induced amorphization in rare earth titanates RE2Ti2O7 (RE: Gd, Sm) with pyrochlore structure
journal, September 2005

Hydrostatic limits of 11 pressure transmitting media
journal, March 2009

Cooperative oxygen ion dynamics in ${Gd}_{2} {Ti}_{2 - y} {Zr}_{y} O_{7}$
journal, April 2005

Atomic disorder in Gd ₂ Zr ₂ O ₇ pyrochlore
journal, May 2015

Oxide pyrochlores — A review
journal, January 1983

Pressure and temperature phase diagram of Gd ₂ Ti ₂ O ₇ under irradiation
journal, November 2014

High-pressure structural changes in the ${Gd}_{2} {Zr}_{2} O_{7}$ pyrochlore
journal, December 2007

Radiation-induced amorphization of rare-earth titanate pyrochlores
journal, October 2003

DIOPTAS : a program for reduction of two-dimensional X-ray diffraction data and data exploration
journal, May 2015

Ab initio investigation of phase stability of $Y_{2} {Ti}_{2} O_{7}$ and $Y_{2} {Zr}_{2} O_{7}$ under high pressure
journal, December 2009

Radiation Tolerance of Complex Oxides
journal, August 2000

Preparation, XRD and Raman spectroscopic studies on new compounds RE2Hf2O7 (RE=Dy, Ho, Er, Tm, Lu, Y): Pyrochlores or defect-fluorite?
journal, July 2006

Order–disorder transition in the Nd2−yYyZr2O7 system: Probed by X-ray diffraction and Raman spectroscopy
journal, January 2010

Nuclear waste disposal—pyrochlore (A2B2O7): Nuclear waste form for the immobilization of plutonium and “minor” actinides
journal, June 2004

Synthesis of disordered pyrochlores, Ti2O7 (, Gd and Dy), by mechanical milling of constituent oxides
journal, April 2005

Pressure-Induced Disordering and Anomalous Lattice Expansion in ${La}_{2} {Zr}_{2} O_{7}$ Pyrochlore
journal, June 2010

Pressure induced structural transformation in Gd ₂ Ti ₂ O ₇ and Gd ₂ Zr ₂ O ₇
journal, January 2011

High ionic conductivity in the pyrochlore-type Gd2−yLayZr2O7 solid solution (0≤y≤1)
journal, November 2008

Probing disorder in isometric pyrochlore and related complex oxides
journal, February 2016

High-pressure Raman study of ${CeO}_{2}$ to 35 GPa and pressure-induced phase transformation from the fluorite structure
journal, March 1988

Synthesis, characterization, and biocompatibility of lanthanum titanate nanoparticles in albino mice in a sex-specific manner
journal, January 2020

Pressure-induced phase transition of La ₂ Zr ₂ O ₇ and La _0.5 Gd _1.5 Zr ₂ O ₇ pyrochlore
journal, January 2019

Pressure-induced order–disorder transition in Gd _1.5 Ce _0.5 Ti ₂ O ₇ pyrochlore
journal, September 2019

Pressure-Tuned Interactions in Frustrated Magnets: Pathway to Quantum Spin Liquids?
journal, December 2019