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)

Journal Article · 24 January 2017 · Journal of Applied Physics

DOI: https://doi.org/10.1063/1.4974871 · OSTI ID:1360963

^[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

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.

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

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

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

OSTI ID:: 1360963

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

Journal Information:: Journal of Applied Physics, Vol. 121, Issue 4; ISSN 0021-8979

Publisher:: American Institute of Physics (AIP)Copyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 35 works

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References (44)

Connection between oxygen-ion conductivity of pyrochlore fuel-cell materials and structural change with composition and temperature Wuensch, B. Solid State Ionics, Vol. 129, Issue 1-4 https://doi.org/10.1016/S0167-2738(99)00320-3	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 Sanjuán, M. L.; Guglieri, C.; Díaz-Moreno, S. Physical Review B, Vol. 84, Issue 10 https://doi.org/10.1103/PhysRevB.84.104207	journal	September 2011
Oxygen migration in A2B2O7 pyrochlores Pirzada, M. Solid State Ionics, Vol. 140, Issue 3-4 https://doi.org/10.1016/S0167-2738(00)00836-5	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 ) Snyder, J.; Ueland, B. G.; Mizel, Ari Physical Review B, Vol. 70, Issue 18 https://doi.org/10.1103/PhysRevB.70.184431	journal	November 2004
Structural distortions and phase transformations in Sm2Zr2O7 pyrochlore at high pressures Zhang, F. X.; Lian, J.; Becker, U. Chemical Physics Letters, Vol. 441, Issue 4-6 https://doi.org/10.1016/j.cplett.2007.05.018	journal	June 2007
High-pressure x-ray diffraction study of CeO 2 to 70 GPa and pressure-induced phase transformation from the fluorite structure Duclos, Steven J.; Vohra, Yogesh K.; Ruoff, Arthur L. Physical Review B, Vol. 38, Issue 11 https://doi.org/10.1103/PhysRevB.38.7755	journal	October 1988
Disorder in Pyrochlore Oxides Minervini, Licia; Grimes, Robin W.; Sickafus, Kurt E. Journal of the American Ceramic Society, Vol. 83, Issue 8 https://doi.org/10.1111/j.1151-2916.2000.tb01484.x	journal	August 2000
Phonon spectrum, thermodynamic properties, and pressure-temperature phase diagram of uranium dioxide Wang, Bao-Tian; Zhang, Ping; Lizárraga, Raquel Physical Review B, Vol. 88, Issue 10 https://doi.org/10.1103/PhysRevB.88.104107	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] Zhang, F. X.; Lang, M.; Becker, U. Applied Physics Letters, Vol. 92, Issue 1 https://doi.org/10.1063/1.2830832	journal	January 2008
Silicone fluid as a high‐pressure medium in diamond anvil cells Ragan, Deirdre D.; Clarke, David R.; Schiferl, David Review of Scientific Instruments, Vol. 67, Issue 2 https://doi.org/10.1063/1.1146627	journal	February 1996
Nanoscale manipulation of the properties of solids at high pressure with relativistic heavy ions Lang, Maik; Zhang, Fuxiang; Zhang, Jiaming Nature Materials, Vol. 8, Issue 10 https://doi.org/10.1038/nmat2528	journal	September 2009
Behavior of actinide dioxides under pressure: U O 2 and Th O 2 Idiri, M.; Le Bihan, T.; Heathman, S. Physical Review B, Vol. 70, Issue 1 https://doi.org/10.1103/PhysRevB.70.014113	journal	July 2004
Dirac Strings and Magnetic Monopoles in the Spin Ice Dy2Ti2O7 Morris, D. J. P.; Tennant, D. A.; Grigera, S. A. Science, Vol. 326, Issue 5951 https://doi.org/10.1126/science.1178868	journal	September 2009
Rare-earth titanates and stannates of pyrochlore structure; vibrational spectra and force fields Vandenborre, M. T.; Husson, E.; Chatry, J. P. Journal of Raman Spectroscopy, Vol. 14, Issue 2 https://doi.org/10.1002/jrs.1250140202	journal	April 1983
Influence of structural disorder on the dynamics of mobile oxygen ions in Dy2(Ti1−yZry)2O7 Moreno, Karla J.; Fuentes, Antonio F.; Amador, Ulises Journal of Non-Crystalline Solids, Vol. 353, Issue 41-43 https://doi.org/10.1016/j.jnoncrysol.2007.04.037	journal	November 2007
High-pressure Raman and x-ray study of the spin-frustrated pyrochlore Gd 2 Ti 2 O 7 Saha, Surajit; Muthu, D. V. S.; Pascanut, C. Physical Review B, Vol. 74, Issue 6 https://doi.org/10.1103/PhysRevB.74.064109	journal	August 2006
Systematics of the pyrochlore structure type, ideal A2B2X6Y Chakoumakos, Bryan C. Journal of Solid State Chemistry, Vol. 53, Issue 1 https://doi.org/10.1016/0022-4596(84)90234-2	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 Zhang, F. X.; Wang, J. W.; Lian, J. Physical Review Letters, Vol. 100, Issue 4 https://doi.org/10.1103/PhysRevLett.100.045503	journal	January 2008
Defect formation energies in A 2 B 2 O 7 pyrochlores Li, Yan; Kowalski, Piotr M.; Beridze, George Scripta Materialia, Vol. 107 https://doi.org/10.1016/j.scriptamat.2015.05.010	journal	October 2015
The Structural Transformation from the Pyrochlore Structure, A2B2O7, to the Fluorite Structure, AO2, Studied by Raman Spectroscopy and Defect Chemistry Modeling Glerup, Marianne; Nielsen, Ole Faurskov; Poulsen, Finn Willy Journal of Solid State Chemistry, Vol. 160, Issue 1 https://doi.org/10.1006/jssc.2000.9142	journal	August 2001
Pressure-induced order–disorder transitions in pyrochlore RE2Ti2O7 (RE=Y, Gd) Zhang, F. X.; Manoun, B.; Saxena, S. K. Materials Letters, Vol. 60, Issue 21-22 https://doi.org/10.1016/j.matlet.2006.01.095	journal	September 2006
Zirconate pyrochlores under high pressure Xiao, H. Y.; Zhang, F. X.; Gao, Fei Physical Chemistry Chemical Physics, Vol. 12, Issue 39 https://doi.org/10.1039/c0cp00278j	journal	January 2010
Characterization of Anion Disorder in Zirconate A ₂ B ₂ O ₇ Compounds by Raman Spectroscopy Scheetz, Barry E.; White, William B. Journal of the American Ceramic Society, Vol. 62, Issue 9-10 https://doi.org/10.1111/j.1151-2916.1979.tb19107.x	journal	September 1979
Structural changes and pressure-induced amorphization in rare earth titanates RE2Ti2O7 (RE: Gd, Sm) with pyrochlore structure Zhang, F. X.; Saxena, S. K. Chemical Physics Letters, Vol. 413, Issue 1-3 https://doi.org/10.1016/j.cplett.2005.07.094	journal	September 2005
Hydrostatic limits of 11 pressure transmitting media Klotz, S.; Chervin, J-C.; Munsch, P. Journal of Physics D: Applied Physics, Vol. 42, Issue 7, Article No. 075413 https://doi.org/10.1088/0022-3727/42/7/075413	journal	March 2009
Cooperative oxygen ion dynamics in Gd 2 Ti 2 − y Zr y O 7 Moreno, K. J.; Mendoza-Suárez, G.; Fuentes, A. F. Physical Review B, Vol. 71, Issue 13 https://doi.org/10.1103/PhysRevB.71.132301	journal	April 2005
Atomic disorder in Gd ₂ Zr ₂ O ₇ pyrochlore Zhang, F. X.; Lang, M.; Ewing, R. C. Applied Physics Letters, Vol. 106, Issue 19 https://doi.org/10.1063/1.4921268	journal	May 2015
Oxide pyrochlores — A review Subramanian, M. A.; Aravamudan, G.; Subba Rao, G. V. Progress in Solid State Chemistry, Vol. 15, Issue 2 https://doi.org/10.1016/0079-6786(83)90001-8	journal	January 1983
Pressure and temperature phase diagram of Gd ₂ Ti ₂ O ₇ under irradiation Catillon, G.; Chartier, A. Journal of Applied Physics, Vol. 116, Issue 19 https://doi.org/10.1063/1.4901577	journal	November 2014
High-pressure structural changes in the Gd 2 Zr 2 O 7 pyrochlore Zhang, F. X.; Lian, J.; Becker, U. Physical Review B, Vol. 76, Issue 21 https://doi.org/10.1103/PhysRevB.76.214104	journal	December 2007
Radiation-induced amorphization of rare-earth titanate pyrochlores Lian, Jie; Chen, Jian; Wang, L. M. Physical Review B, Vol. 68, Issue 13 https://doi.org/10.1103/PhysRevB.68.134107	journal	October 2003
DIOPTAS : a program for reduction of two-dimensional X-ray diffraction data and data exploration Prescher, Clemens; Prakapenka, Vitali B. High Pressure Research, Vol. 35, Issue 3 https://doi.org/10.1080/08957959.2015.1059835	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 Xiao, H. Y.; Gao, Fei; Weber, W. J. Physical Review B, Vol. 80, Issue 21 https://doi.org/10.1103/PhysRevB.80.212102	journal	December 2009
Radiation Tolerance of Complex Oxides Sickafus, K. E. Science, Vol. 289, Issue 5480 https://doi.org/10.1126/science.289.5480.748	journal	August 2000
Preparation, XRD and Raman spectroscopic studies on new compounds RE2Hf2O7 (RE=Dy, Ho, Er, Tm, Lu, Y): Pyrochlores or defect-fluorite? Mandal, B. P.; Garg, Nandini; Sharma, Surinder M. Journal of Solid State Chemistry, Vol. 179, Issue 7 https://doi.org/10.1016/j.jssc.2006.03.036	journal	July 2006
Order–disorder transition in the Nd2−yYyZr2O7 system: Probed by X-ray diffraction and Raman spectroscopy Mandal, B. P.; Krishna, P. S. R.; Tyagi, A. K. Journal of Solid State Chemistry, Vol. 183, Issue 1 https://doi.org/10.1016/j.jssc.2009.10.010	journal	January 2010
Nuclear waste disposal—pyrochlore (A2B2O7): Nuclear waste form for the immobilization of plutonium and “minor” actinides Ewing, Rodney C.; Weber, William J.; Lian, Jie Journal of Applied Physics, Vol. 95, Issue 11 https://doi.org/10.1063/1.1707213	journal	June 2004
Calibration of the ruby pressure gauge to 800 kbar under quasi-hydrostatic conditions Mao, H. K.; Xu, J.; Bell, P. M. Journal of Geophysical Research, Vol. 91, Issue B5, p. 4673-4676 https://doi.org/10.1029/JB091iB05p04673	journal	January 1986
Synthesis of disordered pyrochlores, Ti2O7 (, Gd and Dy), by mechanical milling of constituent oxides Fuentes, Antonio F.; Boulahya, Khalid; Maczka, Miroslaw Solid State Sciences, Vol. 7, Issue 4 https://doi.org/10.1016/j.solidstatesciences.2005.01.002	journal	April 2005
Pressure-Induced Disordering and Anomalous Lattice Expansion in La 2 Zr 2 O 7 Pyrochlore Zhang, F. X.; Lang, M.; Liu, Zhenxian Physical Review Letters, Vol. 105, Issue 1 https://doi.org/10.1103/PhysRevLett.105.015503	journal	June 2010
Pressure induced structural transformation in Gd ₂ Ti ₂ O ₇ and Gd ₂ Zr ₂ O ₇ Xiao, H. Y.; Weber, W. J. Journal of Physics: Condensed Matter, Vol. 23, Issue 3 https://doi.org/10.1088/0953-8984/23/3/035501	journal	January 2011
High ionic conductivity in the pyrochlore-type Gd2−yLayZr2O7 solid solution (0≤y≤1) Diazguillen, J.; Diazguillen, M.; Padmasree, K. Solid State Ionics, Vol. 179, Issue 38 https://doi.org/10.1016/j.ssi.2008.07.015	journal	November 2008
Probing disorder in isometric pyrochlore and related complex oxides Shamblin, Jacob; Feygenson, Mikhail; Neuefeind, Joerg Nature Materials, Vol. 15, Issue 5 https://doi.org/10.1038/nmat4581	journal	February 2016
High-pressure Raman study of CeO 2 to 35 GPa and pressure-induced phase transformation from the fluorite structure Kourouklis, G. A.; Jayaraman, A.; Espinosa, G. P. Physical Review B, Vol. 37, Issue 8 https://doi.org/10.1103/PhysRevB.37.4250	journal	March 1988

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