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Title: The structural response of gadolinium phosphate to pressure

Abstract

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.

Authors:
 [1];  [1];  [1];  [2]
  1. Virginia Polytechnic Inst. and State Univ. (Virginia Tech), Blacksburg, VA (United States). Dept. of Geosciences
  2. Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Materials Science and Technology Division
Publication Date:
Research Org.:
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES); National Science Foundation (NSF)
OSTI Identifier:
1261304
Alternate Identifier(s):
OSTI ID: 1436186
Grant/Contract Number:  
AC05-00OR22725; EAR-1118691
Resource Type:
Accepted Manuscript
Journal Name:
Journal of Solid State Chemistry
Additional Journal Information:
Journal Volume: 241; Journal ID: ISSN 0022-4596
Publisher:
Elsevier
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE

Citation Formats

Heffernan, Karina M., Ross, Nancy L., Spencer, Elinor C., and Boatner, Lynn A. The structural response of gadolinium phosphate to pressure. United States: N. p., 2016. Web. https://doi.org/10.1016/j.jssc.2016.06.009.
Heffernan, Karina M., Ross, Nancy L., Spencer, Elinor C., & Boatner, Lynn A. The structural response of gadolinium phosphate to pressure. United States. https://doi.org/10.1016/j.jssc.2016.06.009
Heffernan, Karina M., Ross, Nancy L., Spencer, Elinor C., and Boatner, Lynn A. Thu . "The structural response of gadolinium phosphate to pressure". United States. https://doi.org/10.1016/j.jssc.2016.06.009. https://www.osti.gov/servlets/purl/1261304.
@article{osti_1261304,
title = {The structural response of gadolinium phosphate to pressure},
author = {Heffernan, Karina M. and Ross, Nancy L. and Spencer, Elinor C. and Boatner, Lynn A.},
abstractNote = {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.},
doi = {10.1016/j.jssc.2016.06.009},
journal = {Journal of Solid State Chemistry},
number = ,
volume = 241,
place = {United States},
year = {2016},
month = {6}
}

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Cited by: 6 works
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    Works referencing / citing this record:

    High-pressure structural and vibrational properties of monazite-type BiPO 4 , LaPO 4 , CePO 4 , and PrPO 4
    journal, January 2018

    • Errandonea, D.; Gomis, O.; Rodríguez-Hernández, P.
    • Journal of Physics: Condensed Matter, Vol. 30, Issue 6
    • DOI: 10.1088/1361-648x/aaa20d

    High-Pressure Elastic, Vibrational and Structural Study of Monazite-Type GdPO4 from Ab Initio Simulations
    journal, May 2018

    • Muñoz, Alfonso; Rodríguez-Hernández, Placida
    • Crystals, Vol. 8, Issue 5
    • DOI: 10.3390/cryst8050209