کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
5426150 | 1395878 | 2007 | 8 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
Theoretical and experimental studies of the structure and dynamics of the CaF2(1 1 1) surface
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کلمات کلیدی
موضوعات مرتبط
مهندسی و علوم پایه
شیمی
شیمی تئوریک و عملی
پیش نمایش صفحه اول مقاله
![عکس صفحه اول مقاله: Theoretical and experimental studies of the structure and dynamics of the CaF2(1 1 1) surface Theoretical and experimental studies of the structure and dynamics of the CaF2(1 1 1) surface](/preview/png/5426150.png)
چکیده انگلیسی
The structure and dynamics of the CaF2(1Â 1Â 1) surface were investigated by means of low-energy electron diffraction (LEED) and molecular dynamics (MD) simulations at 300Â K. LEED beam intensities were recorded as a function of electron energy and were analyzed with the tensor LEED approach. Positions as well as mean square amplitudes of the ions in the first layers were fitted to the experimental I(E) curves. According to both LEED and MD, the CaF2(1Â 1Â 1) surface structure is similar to the bulk-terminated structure with only small relaxation of the outermost ions. Moreover, both methods show an enhancement of vibrational amplitudes in the outermost F-Ca-F triple layer.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Surface Science - Volume 601, Issue 2, 15 January 2007, Pages 411-418
Journal: Surface Science - Volume 601, Issue 2, 15 January 2007, Pages 411-418
نویسندگان
A. Gotte, M. Baudin, A.G. Cabello-Cartagena, J. Vogt, H. Weiss,