کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
7938789 | 1513183 | 2018 | 33 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
First principles study of the electronic properties and band gap modulation of two-dimensional phosphorene monolayer: Effect of strain engineering
ترجمه فارسی عنوان
بررسی اصول اولیه خواص الکترونیک و مدولاسیون شکاف باند دو لایه فسفرن دو بعدی: اثر مهندسی کران
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کلمات کلیدی
موضوعات مرتبط
مهندسی و علوم پایه
مهندسی مواد
مواد الکترونیکی، نوری و مغناطیسی
چکیده انگلیسی
The effect of strain on the structural and electronic properties of monolayer phosphorene is studied by using first-principle calculations based on the density functional theory. The intra- and inter-bond length and bond angle for monolayer phosphorene is also evaluated. The intra- and inter-bond length and the bond angle for phosphorene show an opposite tendency under different directions of the applied strain. At the equilibrium state, monolayer phosphorene is a semiconductor with a direct band gap at the Î-point of 0.91â¯eV. A direct-indirect band gap transition is found in monolayer phosphorene when both the compression and tensile strain are simultaneously applied along both zigzag and armchair directions. Under the applied compression strain, a semiconductor-metal transition for monolayer phosphorene is observed at â13% and â10% along armchair and zigzag direction, respectively. The direct-indirect and phase transition will largely constrain application of monolayer phosphorene to electronic and optical devices.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Superlattices and Microstructures - Volume 118, June 2018, Pages 289-297
Journal: Superlattices and Microstructures - Volume 118, June 2018, Pages 289-297
نویسندگان
Huynh V. Phuc, Nguyen N. Hieu, Victor V. Ilyasov, Le T.T. Phuong, Chuong V. Nguyen,