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HomeAdvanced Materials ResearchAdvanced Materials Research Vol. 366First Principles Investigation of Phase Stability...

First Principles Investigation of Phase Stability of LaNi₃ and LaMg₂Ni₉

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Abstract:

First-principles calculations were performed to study the relative stabilities of LaNi3 and LaMg2Ni9. The calculated results show that LaMg2Ni9 has the higher stability than LaNi3. The preferential stability of LaMg2Ni9 was analyzed in both structural and electronic views.

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Advanced Research on Material Engineering, Architectural Engineering and Informatization

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Periodical:

Advanced Materials Research (Volume 366)

Pages:

425-428

DOI:

https://doi.org/10.4028/www.scientific.net/AMR.366.425

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Online since:

October 2011

Authors:

Wei Gao, Jian Gang Niu

Keywords:

First-Principle, LaMg₂Ni₉, LaNi₃, Phase Stability

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© 2012 Trans Tech Publications Ltd. All Rights Reserved

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