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First principles investigation of the binary intermetallics in Pb–Mg–Al alloy: Stability, elastic properties and electronic structure

✍ Scribed by Yong-Hua Duan; Yong Sun; Ming-Jun Peng; Zhong-Zheng Guo


Book ID
113914131
Publisher
Elsevier Science
Year
2011
Tongue
English
Weight
442 KB
Volume
13
Category
Article
ISSN
1293-2558

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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