کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
1686000 | 1518757 | 2008 | 4 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
A first principles study of positively charged oxygen vacancies migration in pure and Ge-doped amorphous silica
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موضوعات مرتبط
مهندسی و علوم پایه
مهندسی مواد
سطوح، پوششها و فیلمها
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چکیده انگلیسی
Using first principles calculations in a periodic amorphous silica supercell, we calculated the energies and the migration barriers of a positively charged oxygen vacancy in pure and germanium-doped silica. The results show that the puckered and dimer structures of the Si-E′ and of the Ge-E′ centers are quite similar. The puckered structure of the Si-E′ center is not affected by the presence of a germanium atom in its surroundings. Moreover, our calculation shows that in the presence of a germanium atom as first neighbour of an oxygen vacancy, Ge-E′ rather than Si-E′ are preferably created in silica.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms - Volume 266, Issues 12–13, June 2008, Pages 2719–2722
Journal: Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms - Volume 266, Issues 12–13, June 2008, Pages 2719–2722
نویسندگان
Richard Nicolas, Girard Sylvain, Martin-Samos Layla, Boukenter Aziz, Ouerdane Youcef, Meunier Jean-Pierre,