Phase stability of Ni-based intermetallic compounds Ni3X studied by the recursion method

Jinho Park*, Shinji Muramatsu, Michihide Kitamura, Han R P Inoue, H. D. Chen

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

1 Scopus citations

Abstract

The phase stability of the Ni-based compounds Ni3Al, Ni3Si, Ni3Ga and Ni3Ge was studied by calculating the total electronic energy in the L12 and D022 phases on the basis of the recursion method within the tight-binding approximation. A close relationship was observed between the total electronic energy difference of the L12 and D022 phases and the number of valence electrons in the Ni-based compounds as well as in Al-based ones, Al3X (X = Ti, Y, Zr and Nb). For the Ni-based compounds, a structural change from L12 to D022 by alloying, in which Ni atoms are replaced by substitutional solute elements, is predicted.

Original languageEnglish
Pages (from-to)214-220
Number of pages7
JournalMaterials Chemistry and Physics
Volume33
Issue number3-4
DOIs
StatePublished - 1 Jan 1993

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