Mixed valency in cerium oxide crystallographic phases: Valence of different cerium sites by the bond valence method

Shoko, E., Smith, M. F. and McKenzie, Ross H. (2009) Mixed valency in cerium oxide crystallographic phases: Valence of different cerium sites by the bond valence method. Physical Review B: Condensed Matter and Materials Physics, 79 13: 134108.1-134108.12. doi:10.1103/PhysRevB.79.134108

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Author Shoko, E.
Smith, M. F.
McKenzie, Ross H.
Title Mixed valency in cerium oxide crystallographic phases: Valence of different cerium sites by the bond valence method
Journal name Physical Review B: Condensed Matter and Materials Physics   Check publisher's open access policy
ISSN 1098-0121
1550-235X
Publication date 2009-04-16
Year available 2009
Sub-type Article (original research)
DOI 10.1103/PhysRevB.79.134108
Open Access Status File (Publisher version)
Volume 79
Issue 13
Start page 134108.1
End page 134108.12
Total pages 12
Editor P. D. Adams
Place of publication College Park, MD, United States
Publisher American Physical Society
Language eng
Subject C1
970102 Expanding Knowledge in the Physical Sciences
0204 Condensed Matter Physics
Abstract We have applied the bond valence method to cerium oxides to determine the oxidation states of the Ce ion at the various site symmetries of the crystals. The crystals studied include cerium dioxide and the two sesquioxides along with some selected intermediate phases which are crystallographically well characterized. Our results indicate that cerium dioxide has a mixed-valence ground state with an f-electron population on the Ce site of 0.27 while both the A- and C-sesquioxides have a nearly pure f1 configuration. The Ce sites in most of the intermediate oxides have nonintegral valences. Furthermore, many of these valences are different from the values predicted from a naive consideration of the stoichiometric valence of the compound.
Keyword Cerium compounds
Crystallography
Cerium compounds
Ground states
Q-Index Code C1
Q-Index Status Confirmed Code
Institutional Status UQ

Document type: Journal Article
Sub-type: Article (original research)
Collections: School of Mathematics and Physics
2010 Higher Education Research Data Collection
ERA 2012 Admin Only
 
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Citation counts: TR Web of Science Citation Count  Cited 9 times in Thomson Reuters Web of Science Article | Citations
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Created: Thu, 03 Sep 2009, 18:08:24 EST by Mr Andrew Martlew on behalf of School of Mathematics & Physics