کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
1601853 | 1005219 | 2008 | 5 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
Energetic evaluation of the semiconducting mono-, sesqui-, and di-silicides of the 8th group elements (Fe, Ru and Os) using first-principle calculations
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کلمات کلیدی
موضوعات مرتبط
مهندسی و علوم پایه
مهندسی مواد
فلزات و آلیاژها
پیش نمایش صفحه اول مقاله
چکیده انگلیسی
Energetic evaluation of the 8th group element (Fe, Ru and Os) mono-, sesqui-, and di-silicides has been performed using a first-principle calculation based on the density-functional theory. The following phases are expected to be present as equilibrium phases: FeSi, β-FeSi2, RuSi, α-Ru2Si3, Os2Si3, and OsSi2. RuSi2, which has been formed only as a metastable phase, was properly predicted to be unstable compared to the mixture of Ru2Si3 and Si. Hypothetical Fe2Si3 with the α-Ru2Si3-type structure was also predicted to be much more unstable than the mixture of FeSi and β-FeSi2. These are consistent with the observed facts.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Intermetallics - Volume 16, Issue 6, June 2008, Pages 769–773
Journal: Intermetallics - Volume 16, Issue 6, June 2008, Pages 769–773
نویسندگان
Yoji Imai, Akio Watanabe,