کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
1560901 | 1513928 | 2014 | 5 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
Theoretical insight into the structural, elastic and electronic properties of N4H4 compounds
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کلمات کلیدی
موضوعات مرتبط
مهندسی و علوم پایه
سایر رشته های مهندسی
مکانیک محاسباتی
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چکیده انگلیسی
Using the first-principles calculations, we have investigated the structural, elastic and electronic properties of N4H4 compounds. The calculated structural parameters of three structures are in agreement with the available theoretical and experimental data. The independent elastic constants, bulk modulus, shear modulus, Young's modulus, and Poisson's ratio of three structures have been calculated and are shown to understand their elastic and mechanical properties. The electronic band structures, density of states and charge density distributions of three structures have been studied, indicating that there are covalent NN and NH bonds.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Computational Materials Science - Volume 81, January 2014, Pages 582-586
Journal: Computational Materials Science - Volume 81, January 2014, Pages 582-586
نویسندگان
Qi-Jun Liu, Ning-Chao Zhang, Jie Wu, Yan-Yun Sun, Ming-Jian Zhang, Fu-Sheng Liu, Hong-Yan Wang, Zheng-Tang Liu,