کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
1562643 | 999592 | 2010 | 7 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
Theoretical study of stabilities and electronic properties of the vacancy and carbon-doping defects in zigzag boron nitride nanoribbons
دانلود مقاله + سفارش ترجمه
دانلود مقاله ISI انگلیسی
رایگان برای ایرانیان
موضوعات مرتبط
مهندسی و علوم پایه
سایر رشته های مهندسی
مکانیک محاسباتی
پیش نمایش صفحه اول مقاله

چکیده انگلیسی
Structures, stabilities, and electronic and magnetic properties of the vacancy and C-doping defects in zigzag boron nitride nanoribbons (ZBNNRs) were investigated by the spin-polarized density functional calculations. The present results reveal that the formation of the single boron or nitrogen vacancy defect by removing one boron or nitrogen atom in the vicinity of the boron edge is more favorable energetically than other sites. The substitution of carbon for boron and nitrogen atoms is relatively facile in the boron and nitrogen edges, respectively. These defects can induce spontaneous magnetization and manipulate the electronic and magnetic properties of ZBNNRs. The effect of the boron vacancy on the electronic and magnetic properties shows remarkable dependences of the defect site and density, quite different from the cases of the nitrogen vacancy and C-doping defects.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Computational Materials Science - Volume 48, Issue 3, May 2010, Pages 648-654
Journal: Computational Materials Science - Volume 48, Issue 3, May 2010, Pages 648-654
نویسندگان
Shaobin Tang, Zexing Cao,