کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
8161624 | 1525118 | 2018 | 35 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
Structural, elastic and electronic properties of transition metal carbides ZnC, NbC and their ternary alloys ZnxNb1âxC
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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
We have investigated the structural, electronic and elastic properties of transition-metal carbides ZnxNb1âxC alloys in the range of 0 â¤Â x â¤Â 1 using the density functional theory (DFT). The full potential linearized augmented plane wave (FP-LAPW) method within a framework of the generalized gradient approximation (GGA) and GGA + U (where U is the Hubbard correlation terms) approach is used to perform the calculations presented here. The lattice parameters, the bulk modulus, its pressure derivative and the elastic constants were determined. We have obtained Young's modulus, shear modulus, Poisson's ratio, anisotropy factor by the aid of the calculated elastic constants. We discuss the total and partial densities of states and charge densities.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Physica B: Condensed Matter - Volume 531, 15 February 2018, Pages 196-205
Journal: Physica B: Condensed Matter - Volume 531, 15 February 2018, Pages 196-205
نویسندگان
Y. Zidi, S. Méçabih, B. Abbar, S. Amari,