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
موضوعات مرتبط
مهندسی و علوم پایه سایر رشته های مهندسی مکانیک محاسباتی
پیش نمایش صفحه اول مقاله
Theoretical insight into the structural, elastic and electronic properties of N4H4 compounds
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
نویسندگان
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