کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
1562427 999587 2010 7 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
First principles study of interface structure and electronic property of Au/SrTiO3(0 0 1)
موضوعات مرتبط
مهندسی و علوم پایه سایر رشته های مهندسی مکانیک محاسباتی
پیش نمایش صفحه اول مقاله
First principles study of interface structure and electronic property of Au/SrTiO3(0 0 1)
چکیده انگلیسی
First principles method is carried out to study the interface structure and electronic property of nine probable Au/SrTiO3(0 0 1) models. It is revealed that besides O or Ti vacancies having to exist in the interface, the interface energy and bonding nature are strongly dependent on the atomic configurations at interface. Such interfacial configurations in which each Au atom in the upper Au layer bonds with each O atom in the TiO2-terminated SrTiO3(0 0 1) under layer would be preferable to be formed. From the analysis of the electronic structure of the defective Au/SrTiO3(0 0 1) interfaces, the interactions between Au and various vacancies on SrTiO3(0 0 1) interface are very different.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Computational Materials Science - Volume 50, Issue 1, November 2010, Pages 98-104
نویسندگان
, , ,