کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
5395495 | 1505713 | 2017 | 5 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
Temperature and radiation effects at the fluorine K-edge in LiF
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موضوعات مرتبط
مهندسی و علوم پایه
شیمی
شیمی تئوریک و عملی
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چکیده انگلیسی
The fluorine K-edge of LiF is studied both experimentally and theoretically as a function of temperature. Instantaneous thermal fluctuations in atomic positions are shown in molecular dynamics simulations to increase in amplitude from 0.029 to 0.064Â nm in the temperature range from 40 to 298Â K. This is sufficient to cause instantaneous deviations from local octahedral atomic symmetry in this rock-salt crystal, resulting in altered electronic structure. The lowered symmetry of the lowest core-excited states of fluorine atoms is evident in X-ray absorption spectra at the F K-edge. In addition, sufficient radiation exposure produces a new X-ray absorption peak, below the F K-edge of LiF, which is assigned to defects in LiF based on both calculations and comparison to previous experiments.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Journal of Electron Spectroscopy and Related Phenomena - Volume 218, July 2017, Pages 30-34
Journal: Journal of Electron Spectroscopy and Related Phenomena - Volume 218, July 2017, Pages 30-34
نویسندگان
Craig P. Schwartz, Francisco Ponce, Stephan Friedrich, Stephen P. Cramer, John Vinson, David Prendergast,