کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
5424171 1395816 2008 6 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
Nitrogen adsorption phases on the 4H-SiC(0 0 0 1) Si-face
موضوعات مرتبط
مهندسی و علوم پایه شیمی شیمی تئوریک و عملی
پیش نمایش صفحه اول مقاله
Nitrogen adsorption phases on the 4H-SiC(0 0 0 1) Si-face
چکیده انگلیسی

Using the density functional theory this paper identifies two phases of nitrogen which form on the 4H-SiC(0 0 0 1) Si-face. At 13 ML, N-adatoms occupy the sites between three surface silicon atoms bonding to each of the three available half-filled silicon dangling bonds. This passivates the surface dangling bonds and removes states from the upper half of the band gap. Above this coverage nitrogen atoms pair on the surface to form dimers with a corresponding change in the chemical potential. The nitrogen dimers reintroduce states into the SiC band gap. Between 13 ML and 1 ML coverage, the nitrogen redistributes in patches corresponding to regions of 13 ML coverage and 1 ML coverage. At 1 ML the nitrogen dimers populate all the silicon dangling bonds, thus forming a new surface phase. Above 1 ML a third bonding configuration appears in which the nitrogen dimers are only a singly bonded to the surface. This configuration saturates at 2 ML.

ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Surface Science - Volume 602, Issue 23, 1 December 2008, Pages 3617-3622
نویسندگان
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