کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
1865838 | 1037883 | 2009 | 4 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
First-principles study of narrow single-walled GaN nanotubes
دانلود مقاله + سفارش ترجمه
دانلود مقاله ISI انگلیسی
رایگان برای ایرانیان
کلمات کلیدی
موضوعات مرتبط
مهندسی و علوم پایه
فیزیک و نجوم
فیزیک و نجوم (عمومی)
پیش نمایش صفحه اول مقاله
چکیده انگلیسی
Structural and electronic properties of narrow single-walled GaN nanotubes with diameter from 0.30 to 0.55 nm are investigated using the density functional method with generalized-gradient approximation. The calculations of total energies predict that the most likely GaN nanotubes in our calculation are (2,2), (3,2) and (3,3) nanotubes. From a detailed analysis we find that these narrow single-walled GaN nanotubes are all semiconductors, of which the armchair and chiral tubes are indirect-band-gap semiconductors whereas the zigzag ones have a direct gap except for (4,0) tube. The indirect band gap of (4,0) tube can stem from band sequence change induced by curvature effect. Our results show that the Ï-Ï hybridization effect and the formation of benign buckling separations play a key role in the band sequence changes of (4,0) tube.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Physics Letters A - Volume 373, Issue 3, 12 January 2009, Pages 367-370
Journal: Physics Letters A - Volume 373, Issue 3, 12 January 2009, Pages 367-370
نویسندگان
Yanhua Guo, Xiaohong Yan, Yurong Yang,