کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
5426724 1395900 2006 5 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
Diffusion of Pb adatom and ad-dimer on Si(1 0 0) from ab initio studies
موضوعات مرتبط
مهندسی و علوم پایه شیمی شیمی تئوریک و عملی
پیش نمایش صفحه اول مقاله
Diffusion of Pb adatom and ad-dimer on Si(1 0 0) from ab initio studies
چکیده انگلیسی

The diffusion pathways of Pb adatoms and ad-dimers on Si(1 0 0) are investigated by first-principles calculations. Pb adatoms are found to diffuse on top of the Si(1 0 0) dimer row with an energy barrier of 0.31 eV. However, Pb dimers are energetically more stable. Pb dimers on top of the dimer row have a high energy barrier (0.95 eV) to rotate from the lowest energy configuration to the orientation parallel to the underlying Si(1 0 0) dimer row. Once the ad-dimer is oriented parallel to Si(1 0 0) dimer row, they can diffuse along the dimer row with an energy barrier of only 0.32 eV.

ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Surface Science - Volume 600, Issue 13, 1 July 2006, Pages L159-L163
نویسندگان
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