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

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

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

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

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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.

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

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

Grant/Contract Number:: AC05-00OR22725

OSTI ID:: 1784129

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

Publisher:: American Physical Society (APS)Copyright Statement

Country of Publication:: United States

Language:: English

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