First-principles study of structural sta
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J.Z. Peng; Y.F. Wang; M.F. Gray
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Article
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2008
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Elsevier Science
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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