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. But, 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. Our 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)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

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

OSTI ID:: 1360963

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

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

Country of Publication:: United States

Language:: English

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Title: High-pressure behavior of A ₂ B ₂ O ₇ pyrochlore (A=Eu, Dy; B=Ti, Zr)