کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
1563138 999605 2009 11 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
Structural, elastic and electronic properties of intermetallics in the Pt–Sn system: A density functional investigation
موضوعات مرتبط
مهندسی و علوم پایه سایر رشته های مهندسی مکانیک محاسباتی
پیش نمایش صفحه اول مقاله
Structural, elastic and electronic properties of intermetallics in the Pt–Sn system: A density functional investigation
چکیده انگلیسی

The structural, elastic and electronic properties of intermetallics in the Pt–Sn binary system are investigated using first-principles calculations based on density functional theory (DFT). The polycrystalline elastic properties are deduced from the calculated single-crystal elastic constants. The elastic anisotropy of these intermetallics is analyzed based on the directional dependence of the Young’s modulus and its origin explained based on the electronic nature of the crystals. All the Pt–Sn intermetallics investigated are found to be mechanically stable, ductile and metallic, and some of them show high elastic anisotropy.

ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Computational Materials Science - Volume 46, Issue 4, October 2009, Pages 921–931
نویسندگان
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