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First principles study of the structural stability of intermetallic compounds in the Si–Zr system

✍ Scribed by Catherine Colinet; Romain Viennois; Jean-Claude Tedenac


Book ID
116332340
Publisher
Elsevier Science
Year
2012
Tongue
English
Weight
796 KB
Volume
36
Category
Article
ISSN
0364-5916

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First-principles study of structural sta
✍ J.Z. Peng; Y.F. Wang; M.F. Gray 📂 Article 📅 2008 🏛 Elsevier Science 🌐 English ⚖ 243 KB

In this work, the structural stabilities and electronic properties of Mg-Nd intermetallic compounds were investigated using firstprinciples calculations based on density functional theory. The present results showed that lattice constants for all intermetallics considered are very close to the corre