First-principles and experimental studies of the electronic structures and magnetism in Ni3Al, Ni3Ga and Ni3In

G. Y. Guo, Y. K. Wang, Li Shing Hsu

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    24 Citations (Scopus)

    Abstract

    The electronic structure, mechanical and magnetic properties of Ni3Al, Ni3Ga and Ni3In have been studied by spin-density functional theory with generalized gradient approximation and also by X-ray absorption near-edge spectra (XANES) at the Ni, Ga K edges. The calculated lattice constants and bulk modulii are in good agreement with experiments. All three compounds have a similar calculated density of states (DOS) spectrum and are predicted to be a weak ferromagnet. The measured Ni(Ga) K-edge XANES are well explained by the theoretical XANES and unoccupied Ni(Ga)-p DOS, suggesting that XANES is a useful probe of the electronic structure of the intermetallics.

    Original languageEnglish
    Pages (from-to)91-93
    Number of pages3
    JournalJournal of Magnetism and Magnetic Materials
    Volume239
    Issue number1-3
    DOIs
    Publication statusPublished - 2002 Feb 1

    Keywords

    • X-ray absorption

    ASJC Scopus subject areas

    • Electronic, Optical and Magnetic Materials
    • Condensed Matter Physics

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