کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
5491815 | 1525128 | 2017 | 32 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
Structure, electronic and mechanical properties of Ga1âxBxP alloys
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کلمات کلیدی
موضوعات مرتبط
مهندسی و علوم پایه
فیزیک و نجوم
فیزیک ماده چگال
پیش نمایش صفحه اول مقاله
چکیده انگلیسی
The structural, electronic and mechanical properties of Ga1âxBxP ternary alloys are carried out by the first-principles based on density functional theory. We studied the effect of composition on the ground state properties such as lattice parameter, band gap and elastic modulus and anisotropy. The elastic anisotropy of Ga1âxBxP alloys have been described through different anisotropic factors. We analyzed elastic anisotropy by depicting the three-dimensional surface structure of elastic modulus. Due to the introduction of boron atoms, the Ga1âxBxP alloys become direct-gap semiconductors at x = 0.25, 0.50 and 0.75. At last, we calculated the average acoustic velocity in different directions and the Debye temperatures for the Ga1âxBxP alloys.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Physica B: Condensed Matter - Volume 521, 15 September 2017, Pages 295-304
Journal: Physica B: Condensed Matter - Volume 521, 15 September 2017, Pages 295-304
نویسندگان
Bin Zhao, Junqin Zhang, Huihui Ma, Qun Wei, Yintang Yang,