Near-edge X-ray absorption fine structure study of disordering in Gd 2(Ti 1-yZr y) 2O 7 pyrochlores

Ponnusamy Nachimuthu, Suntharampillai Thevuthasan, Evan M. Adams, William J. Weber, Bruce D. Begg, Bongjin S. Mun, David K. Shun, Dennis W. Lindle, Eric M. Gullikson, Rupert C C Perera

Research output: Contribution to journalArticle

29 Citations (Scopus)

Abstract

Disorder in Gd 2(Ti 1-yZr y) 2O 7 pyrochlores, for y = 0.0-1.0, is investigated by Ti 2p and O 1s near-edge X-ray absorption fine structure spectroscopy. Ti 4+ ions are found to occupy octahedral sites in Gd 2Ti 2O 7 with a tetragonal distortion induced by vacant oxygen sites. As Zr substitutes for Ti, the tetragonal distortion decreases, and Zr coordination increases from 6 to 8. The migration of oxygen ions from 48f or 8b sites to vacant 8a sites compensate for the increased Zr coordination, thereby reducing the number of vacant 8a sites, which further reduces the tetragonal distortion and introduces more disorder around Ti. This is evidence for simultaneous cation disorder with anion migration.

Original languageEnglish
Pages (from-to)1337-1339
Number of pages3
JournalJournal of Physical Chemistry B
Volume109
Issue number4
DOIs
Publication statusPublished - 3 Feb 2005
Externally publishedYes

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X ray absorption
fine structure
disorders
Ions
Oxygen
X ray absorption near edge structure spectroscopy
x rays
oxygen ions
Anions
Cations
Negative ions
Positive ions
substitutes
anions
cations
oxygen
spectroscopy
pyrochlore
ions

ASJC Scopus subject areas

  • Physical and Theoretical Chemistry

Cite this

Nachimuthu, P., Thevuthasan, S., Adams, E. M., Weber, W. J., Begg, B. D., Mun, B. S., ... Perera, R. C. C. (2005). Near-edge X-ray absorption fine structure study of disordering in Gd 2(Ti 1-yZr y) 2O 7 pyrochlores. Journal of Physical Chemistry B, 109(4), 1337-1339. https://doi.org/10.1021/jp0447789

Near-edge X-ray absorption fine structure study of disordering in Gd 2(Ti 1-yZr y) 2O 7 pyrochlores. / Nachimuthu, Ponnusamy; Thevuthasan, Suntharampillai; Adams, Evan M.; Weber, William J.; Begg, Bruce D.; Mun, Bongjin S.; Shun, David K.; Lindle, Dennis W.; Gullikson, Eric M.; Perera, Rupert C C.

In: Journal of Physical Chemistry B, Vol. 109, No. 4, 03.02.2005, p. 1337-1339.

Research output: Contribution to journalArticle

Nachimuthu, P, Thevuthasan, S, Adams, EM, Weber, WJ, Begg, BD, Mun, BS, Shun, DK, Lindle, DW, Gullikson, EM & Perera, RCC 2005, 'Near-edge X-ray absorption fine structure study of disordering in Gd 2(Ti 1-yZr y) 2O 7 pyrochlores', Journal of Physical Chemistry B, vol. 109, no. 4, pp. 1337-1339. https://doi.org/10.1021/jp0447789
Nachimuthu, Ponnusamy ; Thevuthasan, Suntharampillai ; Adams, Evan M. ; Weber, William J. ; Begg, Bruce D. ; Mun, Bongjin S. ; Shun, David K. ; Lindle, Dennis W. ; Gullikson, Eric M. ; Perera, Rupert C C. / Near-edge X-ray absorption fine structure study of disordering in Gd 2(Ti 1-yZr y) 2O 7 pyrochlores. In: Journal of Physical Chemistry B. 2005 ; Vol. 109, No. 4. pp. 1337-1339.
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abstract = "Disorder in Gd 2(Ti 1-yZr y) 2O 7 pyrochlores, for y = 0.0-1.0, is investigated by Ti 2p and O 1s near-edge X-ray absorption fine structure spectroscopy. Ti 4+ ions are found to occupy octahedral sites in Gd 2Ti 2O 7 with a tetragonal distortion induced by vacant oxygen sites. As Zr substitutes for Ti, the tetragonal distortion decreases, and Zr coordination increases from 6 to 8. The migration of oxygen ions from 48f or 8b sites to vacant 8a sites compensate for the increased Zr coordination, thereby reducing the number of vacant 8a sites, which further reduces the tetragonal distortion and introduces more disorder around Ti. This is evidence for simultaneous cation disorder with anion migration.",
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AB - Disorder in Gd 2(Ti 1-yZr y) 2O 7 pyrochlores, for y = 0.0-1.0, is investigated by Ti 2p and O 1s near-edge X-ray absorption fine structure spectroscopy. Ti 4+ ions are found to occupy octahedral sites in Gd 2Ti 2O 7 with a tetragonal distortion induced by vacant oxygen sites. As Zr substitutes for Ti, the tetragonal distortion decreases, and Zr coordination increases from 6 to 8. The migration of oxygen ions from 48f or 8b sites to vacant 8a sites compensate for the increased Zr coordination, thereby reducing the number of vacant 8a sites, which further reduces the tetragonal distortion and introduces more disorder around Ti. This is evidence for simultaneous cation disorder with anion migration.

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