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First-principles studies of Al–Ni intermetallic compounds

✍ Scribed by Dongmin Shi; Bin Wen; Roderick Melnik; Shan Yao; Tingju Li


Publisher
Elsevier Science
Year
2009
Tongue
English
Weight
352 KB
Volume
182
Category
Article
ISSN
0022-4596

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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