Local ordering in disordered NdxZr1-xO2-0.5x pyrochlore as observed using neutron total scattering
Abstract
Pyrochlore complex oxides (A2B2O7) are an important class of fluorite-derivative ceramics with exceptional chemical and structural versatility which make them ideal model systems for studying disordering mechanisms over a range of spatial scales. Here, neutron total scattering methods were used to analyze the structural behavior in the non-stoichiometric series NdxZr1-xO2-0.5x (0.5 ≤ x ≤ 0.23) as a function of Nd content, x. Characterization of the structure functions using Rietveld refinement and the pair distribution functions with small-box refinement reveal complex disordering pathways; the average, long-range phase changes over a very narrow compositional range from pyrochlore ($$Fd\bar{3}m$$) to defect fluorite ($$Fm\bar{3}m$$) through full randomization of the cation and anion sublattices at x ~ 0.31, while the local, short-range structure continuously adopts a weberite-type atomic arrangement (C2221). Comparison to a previously studied Ho2Ti2-xZrxO7 solid solution series reveals how changes in chemical composition and stoichiometry modify defect formation and determine how disordering progresses across different length scales in pyrochlore oxides.
- Authors:
-
[1]
- Univ. of Tennessee, Knoxville, TN (United States)
- Univ. of California, Irvine, CA (United States)
- Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
- Publication Date:
- Research Org.:
- Univ. of Tennessee, Knoxville, TN (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- OSTI Identifier:
- 1846455
- Grant/Contract Number:
- SC0020321
- Resource Type:
- Accepted Manuscript
- Journal Name:
- Acta Materialia
- Additional Journal Information:
- Journal Volume: 225; Journal ID: ISSN 1359-6454
- Publisher:
- Elsevier
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 36 MATERIALS SCIENCE; lanthanide-doped zirconia; short-range ordering; order to disorder phase transformations; neutron diffraction; pair correlation function
Citation Formats
Drey, Devon, O'Quinn, Eric, Finkeldei, Sarah, Neuefeind, Joerg, and Lang, Maik. Local ordering in disordered NdxZr1-xO2-0.5x pyrochlore as observed using neutron total scattering. United States: N. p., 2021.
Web. doi:10.1016/j.actamat.2021.117590.
Drey, Devon, O'Quinn, Eric, Finkeldei, Sarah, Neuefeind, Joerg, & Lang, Maik. Local ordering in disordered NdxZr1-xO2-0.5x pyrochlore as observed using neutron total scattering. United States. https://doi.org/10.1016/j.actamat.2021.117590
Drey, Devon, O'Quinn, Eric, Finkeldei, Sarah, Neuefeind, Joerg, and Lang, Maik. Sat .
"Local ordering in disordered NdxZr1-xO2-0.5x pyrochlore as observed using neutron total scattering". United States. https://doi.org/10.1016/j.actamat.2021.117590. https://www.osti.gov/servlets/purl/1846455.
@article{osti_1846455,
title = {Local ordering in disordered NdxZr1-xO2-0.5x pyrochlore as observed using neutron total scattering},
author = {Drey, Devon and O'Quinn, Eric and Finkeldei, Sarah and Neuefeind, Joerg and Lang, Maik},
abstractNote = {Pyrochlore complex oxides (A2B2O7) are an important class of fluorite-derivative ceramics with exceptional chemical and structural versatility which make them ideal model systems for studying disordering mechanisms over a range of spatial scales. Here, neutron total scattering methods were used to analyze the structural behavior in the non-stoichiometric series NdxZr1-xO2-0.5x (0.5 ≤ x ≤ 0.23) as a function of Nd content, x. Characterization of the structure functions using Rietveld refinement and the pair distribution functions with small-box refinement reveal complex disordering pathways; the average, long-range phase changes over a very narrow compositional range from pyrochlore ($Fd\bar{3}m$) to defect fluorite ($Fm\bar{3}m$) through full randomization of the cation and anion sublattices at x ~ 0.31, while the local, short-range structure continuously adopts a weberite-type atomic arrangement (C2221). Comparison to a previously studied Ho2Ti2-xZrxO7 solid solution series reveals how changes in chemical composition and stoichiometry modify defect formation and determine how disordering progresses across different length scales in pyrochlore oxides.},
doi = {10.1016/j.actamat.2021.117590},
journal = {Acta Materialia},
number = ,
volume = 225,
place = {United States},
year = {Sat Dec 25 00:00:00 EST 2021},
month = {Sat Dec 25 00:00:00 EST 2021}
}
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