Radiation damage in pyrochlore and related compounds

Lumpkin, G. R. and Whittle, K. R. and Rios, S. and Trachenko, K. and Pruneda, M. and Harvey, E. J. and Redfern, S. A. T. and Smith, K. L. and Zaluzec, N. J. (2006) Radiation damage in pyrochlore and related compounds. Materials Research Society Symposium Proceedings, 932. pp. 549-558. ISSN 0272-9172

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The radiation damage properties of synthetic pyrochlore-defect fluorite compounds containing lanthanides on the A-site and Ti, Zr, Sn, and Hf on the B-site have been studied extensively using Kr ion irradiation. Using statistical analysis, we show that the results can be quantified in terms of the critical temperature for amorphization, structural parameters, classical Pauling electronegativity difference, and defect energies. The best current model is able to predict the critical temperature to within about 80 degrees Kelvin. The model indicates that radiation tolerance is correlated with an increase in the X anion coordinate toward the value characteristic of the defect fluorite topology, a smaller unit cell dimension, and lower defect energies. Our analysis also demonstrates that radiation tolerance is promoted by an increase in the Pauling cation-anion electronegativity difference or, in other words, an increase in the ionicity of the chemical bonds. Of the two possible cation sites in ideal pyrochlore, the B-site cation appears to play the major role in bonding. This result is supported, for a subset of pyrochlore compounds, by ab initio calculations, which reveal a correlation between the Mulliken overlap populations of the B-site cation and the critical temperature.

Item Type: Article
Additional Information: 29th International Symposium on the Scientific Basis for Nuclear Waste Management, Ghent, BELGIUM, SEP 12-16, 2005
Uncontrolled Keywords: 2006 AREP IA52 2006 P kot;
Subjects: 03 - Mineral Sciences
Divisions: 03 - Mineral Sciences
Journal or Publication Title: Materials Research Society Symposium Proceedings
Volume: 932
Page Range: pp. 549-558
Depositing User: Sarah Humbert
Date Deposited: 16 Feb 2009 13:03
Last Modified: 23 Jul 2013 10:07
URI: http://eprints.esc.cam.ac.uk/id/eprint/498

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