کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
5421993 1507897 2015 5 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
A DFT study on the effect of surface termination in CdTe (111)/α-Al2O3 (0001) heteroepitaxy
موضوعات مرتبط
مهندسی و علوم پایه شیمی شیمی تئوریک و عملی
پیش نمایش صفحه اول مقاله
A DFT study on the effect of surface termination in CdTe (111)/α-Al2O3 (0001) heteroepitaxy
چکیده انگلیسی
The heteroepitaxial growth of thin films on complex oxide substrates is highly dependent on chemical interactions in the interfacial material layers. We use first-principle density functional theory calculations to investigate the effect of alterations in the substrate termination in CdTe heteroepitaxy on c-plane sapphire, i. e., α-Al2O3 (0001). Comparing to previous experimental results, we rationalize the observations that an artificial alteration of the surface termination, through the addition of aluminum on the substrate surface, will affect rotational domain alignment. Our findings show that Al adatoms will occupy sites on the sapphire surface that otherwise would be beneficial for the binding of CdTe dimers, effectively altering the orientation of dimers during the initial growth process.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Surface Science - Volume 632, February 2015, Pages 93-97
نویسندگان
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