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 language | English |
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Pages (from-to) | 91-93 |
Number of pages | 3 |
Journal | Journal of Magnetism and Magnetic Materials |
Volume | 239 |
Issue number | 1-3 |
DOIs | |
Publication status | Published - 2002 Feb 1 |
Keywords
- X-ray absorption
ASJC Scopus subject areas
- Electronic, Optical and Magnetic Materials
- Condensed Matter Physics