کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
10576282 | 979040 | 2005 | 5 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
Surface diffusion and incorporation of adatom in Co/Al (0Â 0Â 1) system
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کلمات کلیدی
موضوعات مرتبط
مهندسی و علوم پایه
شیمی
شیمی معدنی
پیش نمایش صفحه اول مقاله
چکیده انگلیسی
The surface diffusion and the incorporation of an adatom on early stage of Co/Al (001) interface formation was investigated using the density functional theory (DFT). The energy barrier for the surface diffusion (migration of Co adatom to an adjacent hollow site passing the bridge site) was calculated as 1.01Â eV. Large displacement of neighboring Al atoms was accompanied by the surface diffusion of Co adatom. For incorporation process, the energy barrier was 0.39Â eV, only 38.6% of the barrier for surface diffusion and the energy gain of the system was 0.43Â eV. After the incorporation process was completed, the Co adatom and Al atoms formed seven Co-Al bonds of highly coordinated B2-like configuration.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Journal of Solid State Chemistry - Volume 178, Issue 1, January 2005, Pages 47-51
Journal: Journal of Solid State Chemistry - Volume 178, Issue 1, January 2005, Pages 47-51
نویسندگان
Chiho Kim, Yong-Chae Chung,