کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
5426912 1395912 2006 5 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
Simulation of STM images of p(3 Ã— 2)/Na/Ge(0 0 1) surface
موضوعات مرتبط
مهندسی و علوم پایه شیمی شیمی تئوریک و عملی
پیش نمایش صفحه اول مقاله
Simulation of STM images of p(3 Ã— 2)/Na/Ge(0 0 1) surface
چکیده انگلیسی

Adsorption of Na on the Ge(0 0 1) surface is known to be a cause of surface reconstruction. It is expected to find one Na atom per unit cell of the reconstructed surface, however, the precise atomic configuration of this system is still a matter of controversy. Consequently, the aim of our present theoretical study is to examine the atomic structure of stable p(3 × 2)/Na/Ge(0 0 1) surfaces with and without the possible change of the number of Ge atoms in the surface layer (so-called mass transport). Structural and electronic properties of the considered system are investigated using the local-orbital density functional method. Our considerations are completed by a simulation of STM images of the structures following from molecular dynamics calculations.

ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Surface Science - Volume 600, Issue 8, 15 April 2006, Pages 1659-1663
نویسندگان
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