First-principles studies on alloying and
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Oleg I. Velikokhatnyi; Prashant N. Kumta
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Article
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2010
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Elsevier Science
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English
⚖ 360 KB
In the present study, the density functional theory implemented in the Vienna Ab-initio Simulation Package has been used to investigate the alloying effects of different elements of calcium, zinc, yttrium, aluminum and iron when introduced in the Mg crystal lattice. In particular, studies have been