کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
9775288 1509193 2005 5 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
Ab initio thermodynamics for the growth of ultra-thin Cu film on a perfect MgO(001) surface
موضوعات مرتبط
مهندسی و علوم پایه مهندسی مواد بیومتریال
پیش نمایش صفحه اول مقاله
Ab initio thermodynamics for the growth of ultra-thin Cu film on a perfect MgO(001) surface
چکیده انگلیسی
Controlled growth of thin metallic films on oxide substrates is important for numerous micro-and nanoelectronic applications. Our ab initio study is devoted to the periodic slab simulations for a series of ordered 2D Cu superlattices on the regular MgO(001) substrate. Submonolayer and monolayer substrate Cu coverages were calculated using the DFT-GGA method, as implemented into the CRYSTAL-98 code. The results of ab initio calculations have been combined with thermodynamic theory which allows us to predict the growth mode of ultra-thin metal films (spinodal decomposition vs. nucleation-and-growth regime) as a function of the metal coverage and the temperature, and to estimate the metal density in clusters. We show that 3D cluster formation becomes predominant already at low Cu coverages, in agreement with the experiment.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Materials Science and Engineering: C - Volume 25, Issues 5–8, December 2005, Pages 713-717
نویسندگان
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