The structural response of gadolinium phosphate to pressure

Heffernan, Karina M.; Ross, Nancy L.; Spencer, Elinor C.; Boatner, Lynn A.

doi:10.1016/j.jssc.2016.06.009

Title: The structural response of gadolinium phosphate to pressure

Journal Article · Thu Jun 16 00:00:00 EDT 2016 · Journal of Solid State Chemistry

DOI:https://doi.org/10.1016/j.jssc.2016.06.009· OSTI ID:1261304

Heffernan, Karina M. ^[1]; Ross, Nancy L. ^[1]; Spencer, Elinor C. ^[1]; Boatner, Lynn A. ^[2]

Virginia Polytechnic Inst. and State Univ. (Virginia Tech), Blacksburg, VA (United States). Dept. of Geosciences
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Materials Science and Technology Division

In this study, accurate elastic constants for gadolinium phosphate (GdPO₄) have been measured by single-crystal high-pressure diffraction methods. The bulk modulus of GdPO₄ determined under hydrostatic conditions, 128.1(8) GPa (K'=5.8(2)), is markedly different from that obtained with GdPO₄ under non-hydrostatic conditions (160(2) GPa), which indicates the importance of shear stresses on the elastic response of this phosphate. Finally, high pressure Raman and diffraction analysis indicate that the PO₄ tetrahedra behave as rigid units in response to pressure and that contraction of the GdPO₄ structure is facilitated by bending/twisting of the Gd–O–P links that result in increased distortion in the GdO₉ polyhedra.

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

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

Grant/Contract Number:: AC05-00OR22725; EAR-1118691

OSTI ID:: 1261304

Alternate ID(s):: OSTI ID: 1436186

Journal Information:: Journal of Solid State Chemistry, Vol. 241; ISSN 0022-4596

Publisher:: ElsevierCopyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 16 works

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References (16)

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Cited By (2)

High-pressure structural and vibrational properties of monazite-type BiPO ₄ , LaPO ₄ , CePO ₄ , and PrPO ₄ Errandonea, D.; Gomis, O.; Rodríguez-Hernández, P. Journal of Physics: Condensed Matter, Vol. 30, Issue 6 https://doi.org/10.1088/1361-648x/aaa20d	journal	January 2018
High-Pressure Elastic, Vibrational and Structural Study of Monazite-Type GdPO4 from Ab Initio Simulations Muñoz, Alfonso; Rodríguez-Hernández, Placida Crystals, Vol. 8, Issue 5 https://doi.org/10.3390/cryst8050209	journal	May 2018

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