In situ synchrotron diffraction of pressure-induced phase transition in DyPO 4 under variable hydrostaticity

Sharma, Jai; Musselman, Matthew; Haberl, Bianca; Packard, Corinne E.

doi:10.1103/physrevb.103.184105

In situ synchrotron diffraction of pressure-induced phase transition in ${DyPO}_{4}$ under variable hydrostaticity

Journal Article · Wed May 12 04:00:00 EDT 2021 · Physical Review B

DOI:https://doi.org/10.1103/physrevb.103.184105· OSTI ID:1784129

^[1]; ^[1]; ^[2]; ^[1]

Colorado School of Mines, Golden, CO (United States)
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)

In situ synchrotron x-ray diffraction was conducted on polycrystalline DyPO₄ to elucidate the details of the pressure-induced transition from the xenotime polymorph to the monazite polymorph. We used three different pressure-transmitting media (neon, a 16:3:1 methanol-ethanol-water mixture, and potassium chloride) to investigate the effect of hydrostaticity on the phase behavior. Specifically, our data clearly show a hydrostatic onset pressure of the xenotime-monazite transition of 9.1 GPa, considerably lower than the 15.3 GPa previously determined by Raman spectroscopy. Based on (quasi)hydrostatic data taken in a neon environment, third-order Birch-Murnaghan equation-of-state fits give a xenotime bulk modulus of 144 GPa and a monazite bulk modulus of 180 GPa (both with pressure derivatives of 4.0). Structural data and axial compressibilities show that DyPO₄ is sensitive to shear and has an anisotropic response to pressure. More highly deviatoric conditions cause the onset of the transition to shift to pressures at least as low as 7.0 GPa. We attribute early transition to shear-induced distortion of the PO4 tetrahedra. Finally, our characterization of the high-pressure behavior of DyPO₄ under variable hydrostaticity is critical for advancing rare earth orthophosphate fiber coating applications in ceramic matrix composites and may inform future tailoring of phase composition for controlled shear and pressure applications.

View Accepted Manuscript (DOE)

Research Organization:: Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)

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

Grant/Contract Number:: AC05-00OR22725

OSTI ID:: 1784129

Alternate ID(s):: OSTI ID: 1783898

Journal Information:: Physical Review B, Journal Name: Physical Review B Journal Issue: 18 Vol. 103; ISSN 2469-9950

Publisher:: American Physical Society (APS)Copyright Statement

Country of Publication:: United States

Language:: English

References (38)

Performance of DFT+ U method for prediction of structural and thermodynamic parameters of monazite-type ceramics Blanca Romero, Ariadna; Kowalski, Piotr M.; Beridze, George Journal of Computational Chemistry, Vol. 35, Issue 18 https://doi.org/10.1002/jcc.23618	journal	April 2014
The structures of three lanthanide orthophosphates Milligan, W. O.; Mullica, D. F.; Beall, G. W. Inorganica Chimica Acta, Vol. 70 https://doi.org/10.1016/S0020-1693(00)82791-7	journal	January 1983
Phase transformations in xenotime rare-earth orthophosphates Hay, R. S.; Mogilevsky, P.; Boakye, E. Acta Materialia, Vol. 61, Issue 18 https://doi.org/10.1016/j.actamat.2013.08.005	journal	October 2013
Relationship between the thermodynamic excess properties of mixing and the elastic moduli in the monazite-type ceramics Kowalski, Piotr M.; Li, Yan Journal of the European Ceramic Society, Vol. 36, Issue 8 https://doi.org/10.1016/j.jeurceramsoc.2016.01.051	journal	July 2016
Pressure-induced zircon-type to scheelite-type phase transitions in YbPO₄ and LuPO₄ Zhang, F.X.; Lang, M.; Ewing, R.C. Journal of Solid State Chemistry, Vol. 181, Issue 10, p. 2633-2638 https://doi.org/10.1016/j.jssc.2008.06.042	journal	October 2008
The structural response of gadolinium phosphate to pressure Heffernan, Karina M.; Ross, Nancy L.; Spencer, Elinor C. Journal of Solid State Chemistry, Vol. 241 https://doi.org/10.1016/j.jssc.2016.06.009	journal	September 2016
Structural characterisation of metastable Tb- and Dy-monazites Heuser, Julia M.; Neumeier, Stefan; Peters, Lars Journal of Solid State Chemistry, Vol. 273 https://doi.org/10.1016/j.jssc.2019.02.028	journal	May 2019
Pressure-induced transition in titanium metal a systematic study of the effects of uniaxial stress Errandonea, Daniel; Meng, Y.; Somayazulu, M. Physica B: Condensed Matter, Vol. 355, Issue 1-4, p. 116-125 https://doi.org/10.1016/j.physb.2004.10.030	journal	January 2005
The HighScore suite Degen, Thomas; Sadki, Mustapha; Bron, Egbert Powder Diffraction, Vol. 29, Issue S2 https://doi.org/10.1017/S0885715614000840	journal	October 2014
Bonding Characteristics, Thermal Expansibility, and Compressibility of RXO ₄ (R = Rare Earths, X = P, As) within Monazite and Zircon Structures Li, Huaiyong; Zhang, Siyuan; Zhou, Shihong Inorganic Chemistry, Vol. 48, Issue 10 https://doi.org/10.1021/ic900337j	journal	May 2009
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
The Effect of Pressure Upon the Elastic Parameters of Isotropic Solids, According to Murnaghan's Theory of Finite Strain Birch, Francis Journal of Applied Physics, Vol. 9, Issue 4 https://doi.org/10.1063/1.1710417	journal	April 1938
The laser micro-machining system for diamond anvil cell experiments and general precision machining applications at the High Pressure Collaborative Access Team Hrubiak, Rostislav; Sinogeikin, Stanislav; Rod, Eric Review of Scientific Instruments, Vol. 86, Issue 7 https://doi.org/10.1063/1.4926889	journal	July 2015
Online remote control systems for static and dynamic compression and decompression using diamond anvil cells Sinogeikin, Stanislav V.; Smith, Jesse S.; Rod, Eric Review of Scientific Instruments, Vol. 86, Issue 7 https://doi.org/10.1063/1.4926892	journal	July 2015
Structure and compression of crystalline argon and neon at high pressure and room temperature Finger, L. W.; Hazen, R. M.; Zou, G. Applied Physics Letters, Vol. 39, Issue 11 https://doi.org/10.1063/1.92597	journal	December 1981
The COMPRES/GSECARS gas-loading system for diamond anvil cells at the Advanced Photon Source Rivers, Mark; Prakapenka, Vitali; Kubo, Atsushi High Pressure Research, Vol. 28, Issue 3 https://doi.org/10.1080/08957950802333593	journal	September 2008
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
Structural properties of NaCl and KCl under pressure Froyen, S.; Cohen, M. L. Journal of Physics C: Solid State Physics, Vol. 19, Issue 15 https://doi.org/10.1088/0022-3719/19/15/009	journal	May 1986
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
Raman study of tetragonal TbPO ₄ and observation of a first-order phase transition at high pressure Tatsi, A.; Stavrou, E.; Boulmetis, Y. C. Journal of Physics: Condensed Matter, Vol. 20, Issue 42 https://doi.org/10.1088/0953-8984/20/42/425216	journal	September 2008
High-pressure structural, elastic, and thermodynamic properties of zircon-type HoPO ₄ and TmPO ₄ Gomis, O.; Lavina, B.; Rodríguez-Hernández, P. Journal of Physics: Condensed Matter, Vol. 29, Issue 9 https://doi.org/10.1088/1361-648X/aa516a	journal	January 2017
Raman study of zircon-structured RPO ₄ (R = Y, Tb, Er, Tm) phosphates at high pressures Stavrou, E.; Tatsi, A.; Salpea, E. Journal of Physics: Conference Series, Vol. 121, Issue 4 https://doi.org/10.1088/1742-6596/121/4/042016	journal	July 2008
X-ray diffraction and equation of state of solid neon to 110 GPa Hemley, R. J.; Zha, C. S.; Jephcoat, A. P. Physical Review B, Vol. 39, Issue 16 https://doi.org/10.1103/PhysRevB.39.11820	journal	June 1989
Equations of state of six metals above 94 GPa Dewaele, Agnès; Loubeyre, Paul; Mezouar, Mohamed Physical Review B, Vol. 70, Issue 9 https://doi.org/10.1103/PhysRevB.70.094112	journal	September 2004
High-pressure phase transitions of ScPO 4 and YPO 4 Zhang, F. X.; Wang, J. W.; Lang, M. Physical Review B, Vol. 80, Issue 18 https://doi.org/10.1103/PhysRevB.80.184114	journal	November 2009
High-pressure stability and compressibility ofAPO4 (A=La, Nd, Eu, Gd, Er, and Y) orthophosphates: An x-ray diffraction study using synchrotron radiation Lacomba-Perales, R.; Errandonea, D.; Meng, Y. Physical Review B, Vol. 81, Issue 6, Article No. 064113 https://doi.org/10.1103/PhysRevB.81.064113	journal	February 2010
Theoretical and experimental study of the structural stability of TbPO4 at high pressures López-Solano, J.; Rodríguez-Hernández, P.; Muñoz, A. Physical Review B, Vol. 81, Issue 14, Article No.144126 https://doi.org/10.1103/PhysRevB.81.144126	journal	April 2010
High-pressure study of the behavior of mineral barite by x-ray diffraction Santamaría-Pérez, D.; Gracia, L.; Garbarino, G. Physical Review B, Vol. 84, Issue 5, Article No. 054102 https://doi.org/10.1103/PhysRevB.84.054102	journal	August 2011
Effects of pressure on the structure and lattice dynamics of TmPO 4 : Experiments and calculations Stavrou, E.; Tatsi, A.; Raptis, C. Physical Review B, Vol. 85, Issue 2 https://doi.org/10.1103/PhysRevB.85.024117	journal	January 2012
High-pressure–high-temperature equation of state of KCl and KBr Dewaele, A.; Belonoshko, A. B.; Garbarino, G. Physical Review B, Vol. 85, Issue 21 https://doi.org/10.1103/PhysRevB.85.214105	journal	June 2012
Crystal data for lanthanide orthophosphates Kizilyalli, M.; Welch, A. J. E. Journal of Applied Crystallography, Vol. 9, Issue 5 https://doi.org/10.1107/S0021889876011746	journal	October 1976
EosFit7-GUI : a new graphical user interface for equation of state calculations, analyses and teaching Gonzalez-Platas, Javier; Alvaro, Matteo; Nestola, Fabrizio Journal of Applied Crystallography, Vol. 49, Issue 4 https://doi.org/10.1107/S1600576716008050	journal	June 2016
Thermal Reactions of Hydrated Hexagonal RPO4.nH2O (R=Tb or Dy, n=0.5 to 1) Hikichi, Yasuo; Sasaki, Toshio; Suzuki, Suguru Journal of the American Ceramic Society, Vol. 71, Issue 7 https://doi.org/10.1111/j.1151-2916.1988.tb05940.x	journal	July 1988
Transformation Plasticity in (Gd _x Dy _{1− x} )PO ₄ Fiber Coatings During Fiber Push Out Hay, R. S.; Boakye, E. E.; Mogilevsky, P. Journal of the American Ceramic Society, Vol. 96, Issue 5 https://doi.org/10.1111/jace.12301	journal	April 2013
In situ Raman spectroscopy of pressure‐induced phase transformations in polycrystalline Tb PO ₄ , Dy PO ₄ , and Gd _x Dy _{(1− x )} PO ₄ Musselman, Matthew A.; Wilkinson, Taylor M.; Haberl, Bianca Journal of the American Ceramic Society, Vol. 101, Issue 6 https://doi.org/10.1111/jace.15374	journal	January 2018
Whole powder pattern decomposition methods and applications: A retrospection Le Bail, Armel Powder Diffraction, Vol. 20, Issue 4 https://doi.org/10.1154/1.2135315	journal	December 2005
Thermochemistry of rare-earth orthophosphates Ushakov, S. V.; Helean, K. B.; Navrotsky, A. Journal of Materials Research, Vol. 16, Issue 9 https://doi.org/10.1557/JMR.2001.0361	journal	September 2001
Synthesis, Structure, and Properties of Monazite, Pretulite, and Xenotime Boatner, L. A. Reviews in Mineralogy and Geochemistry, Vol. 48, Issue 1 https://doi.org/10.2138/rmg.2002.48.4	journal	January 2002

Similar Records

In situ Raman spectroscopy of pressure-induced phase transformations in polycrystalline TbPO₄, DyPO₄, and Gd_xDy_(1–x)PO₄ [In situ Raman spectroscopy of pressure-induced phase transformations in DyPO₄ and Gd_xDy_(1–x)PO₄]

Journal Article · Thu Dec 07 23:00:00 EST 2017 · Journal of the American Ceramic Society · OSTI ID:1464024

Structural and thermodynamic mixing properties of

{La}_{1 - x} {Nd}_{x} {PO}_{4}

monazite-type solid solutions

Journal Article · Thu Jan 31 23:00:00 EST 2019 · Journal of Solid State Chemistry · OSTI ID:1566464

Monazite-type

SrCr O_{4}

under compression

Journal Article · Thu Oct 20 00:00:00 EDT 2016 · Physical Review B · OSTI ID:1332350

Related Subjects

75 CONDENSED MATTER PHYSICS
SUPERCONDUCTIVITY AND SUPERFLUIDITY

In situ synchrotron diffraction of pressure-induced phase transition in DyPO 4 under variable hydrostaticity

Citation Formats

References (38)

Similar Records

Related Subjects

In situ synchrotron diffraction of pressure-induced phase transition in ${DyPO}_{4}$ under variable hydrostaticity