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Guo, G.-Y.; Wang, Y.K.; Hsu, L.-S., E-mail: gyguo@phys.ntu.edu.tw2002
AbstractAbstract
[en] 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
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Source
S0304885301005649; Copyright (c) 2002 Elsevier Science B.V., Amsterdam, The Netherlands, All rights reserved.; Country of input: International Atomic Energy Agency (IAEA)
Record Type
Journal Article
Journal
Country of publication
ALUMINIUM COMPOUNDS, BINARY ALLOY SYSTEMS, DENSITY FUNCTIONAL METHOD, ELECTRONIC STRUCTURE, FERROMAGNETISM, GALLIUM COMPOUNDS, INDIUM COMPOUNDS, INTERMETALLIC COMPOUNDS, LATTICE PARAMETERS, MAGNETIC PROPERTIES, MAGNETISM, MECHANICAL PROPERTIES, NICKEL COMPOUNDS, SPIN, X-RAY SPECTRA, X-RAY SPECTROSCOPY
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