کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
1590697 | 1515442 | 2006 | 5 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
Ab initio study of silicon in GW approximation: A direct band gap semiconductor
دانلود مقاله + سفارش ترجمه
دانلود مقاله ISI انگلیسی
رایگان برای ایرانیان
کلمات کلیدی
موضوعات مرتبط
مهندسی و علوم پایه
مهندسی مواد
دانش مواد (عمومی)
پیش نمایش صفحه اول مقاله
چکیده انگلیسی
A theoretical study of physical and electronic properties of silicon has been made by using pseudopotential method within density functional theory (DFT) in generalized gradient approximation (GGA). The effects caused by the expansion of the lattice not studied so far have been investigated. The energy gap for the experimental lattice constant calculated in GW approximation is seen to be in agreement with the experimental value. We observe a crossover from an indirect gap to direct gap at a lattice constant of 5.918Â Ã
corresponding to a lattice expansion of about 8.39%. Silicon is found to be metallic for a lattice constant of 7.61Â Ã
in the tetrahedral structure.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Progress in Crystal Growth and Characterization of Materials - Volume 52, Issues 1â2, MarchâJune 2006, Pages 10-14
Journal: Progress in Crystal Growth and Characterization of Materials - Volume 52, Issues 1â2, MarchâJune 2006, Pages 10-14
نویسندگان
P.S. Yadav, R.K. Yadav, S. Agrawal, B.K. Agrawal,