کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
1622987 1516405 2009 4 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
Ab initio study of the phase stability and mechanical properties of 5d transition metal nitrides MN2
موضوعات مرتبط
مهندسی و علوم پایه مهندسی مواد فلزات و آلیاژها
پیش نمایش صفحه اول مقاله
Ab initio study of the phase stability and mechanical properties of 5d transition metal nitrides MN2
چکیده انگلیسی

Recently platinum nitride and some other heavy transition metal nitrides have attracted great interest due to their remarkable properties. However, there are many discrepancies in the reported results. In this work, we have systematically studied the phase stability, mechanical properties and chemical bonding characters of the heavy transition metal nitrides MN2 (M = Hf, Ta, W, Re, Os, Ir and Pt) in the pyrite and fluorite structures by ab initio methods. The present results will not only provide a fundamental understanding on these technologically important materials, but also benefit their practical applications.

ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Journal of Alloys and Compounds - Volume 472, Issues 1–2, 20 March 2009, Pages 425–428
نویسندگان
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