کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
1333310 979072 2007 7 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
Nature of the chemical bond and prediction of radiation tolerance in pyrochlore and defect fluorite compounds
موضوعات مرتبط
مهندسی و علوم پایه شیمی شیمی معدنی
پیش نمایش صفحه اول مقاله
Nature of the chemical bond and prediction of radiation tolerance in pyrochlore and defect fluorite compounds
چکیده انگلیسی

The radiation tolerance of synthetic pyrochlore and defect fluorite compounds has been studied using ion irradiation. We show that the results can be quantified in terms of the critical temperature for amorphization, structural parameters, classical Pauling electronegativity difference, and disorder energies. Our results demonstrate that radiation tolerance is correlated with a change in the structure from pyrochlore to defect fluorite, a smaller unit cell dimension, and lower cation–anion disorder energy. 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. A further analysis of the data indicates that, of the two possible cation sites in ideal pyrochlore, the smaller B-site cation appears to play the major role in bonding. This result is supported by ab initio calculations of the structure and bonding, showing a correlation between the Mulliken overlap populations of the B-site cation and the critical temperature.

Graphical AbstractThree-dimensional representation of the predicted critical amorphization temperature in pyrochlores.Figure optionsDownload as PowerPoint slide

ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Journal of Solid State Chemistry - Volume 180, Issue 4, April 2007, Pages 1512–1518
نویسندگان
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