کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
5447271 1511494 2018 6 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
Phosphorene under strain:electronic, mechanical and piezoelectric responses
ترجمه فارسی عنوان
فسفرن تحت فشار: پاسخ الکترونیکی، مکانیکی و پیزوالکتریک
کلمات کلیدی
موضوعات مرتبط
مهندسی و علوم پایه مهندسی مواد مواد الکترونیکی، نوری و مغناطیسی
چکیده انگلیسی
Structural, electronic, elastic and piezoelectric properties of pure phosphorene under in-plane strain are investigated using first-principles calculations based on density functional theory. The two critical yielding points are determined along armchair and zigzag directions. It is shown that the buckling, the band gap and the charge transfer can be controlled under strains. A semiconductor to metallic transition is observed in metastable region. Polar plots of Young's modulus, Poisson ratio, sound velocities and Debye temperature exhibit evident anisotropic feature of phosphorene and indicate auxetic behavior for some angles θ. Our calculations show also that phosphorene has both in-plane and out-of-plane piezoelectric responses comparable to known 2D materials. The findings of this work reveal the great potential of pure phosphorene in nanomechanical applications.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Journal of Physics and Chemistry of Solids - Volume 112, January 2018, Pages 137-142
نویسندگان
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