The Au-substituted Al-Cu-Fe icosahedral phase: evidence for bond hybridization

R Popescu, D Macovei, M Manciu, F Zavaliche, D Fratiloiu, A Jianu, A Devenyi, R Manaila, Y Xie, T Hu, B R Orton, R J Cernik, C C Tang

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    Au-substituted Al-Cu-Fe icosahedral phases, Al62Cu25.5-xAuxFe12.5 (x ≤ 7), were prepd. by melt spinning. EDS data showed that Cu as well as Al atoms are effectively substituted for with Au. The hyper-cubic lattice parameter of as-quenched samples slowly increases with x, while phonon- and phason-type disorders are not affected by Au substitution. Exptl. structure factors for "sum" lines were used to derive an av. radius of the at. hypersurfaces. Comparison of exptl. vs. calcd. ratios of structure factors for different models yielded information about the Au distribution over the icosahedral sites. It was inferred that a fraction of the gold shapes its Al surrounding in a AuAl2-type configuration. Evidence was found for d-sp. hybridization of Au-Al bonds, on the basis of the "white-line" area at the Au L3 absorption edge. [on SciFinder(R)]
    Original languageEnglish
    Pages (from-to)7523-7540
    Number of pages18
    JournalJ. Phys. Condens. Matter
    Issue number36
    Publication statusPublished - 1997


    • Bond
    • Disorder
    • Electron hybridization
    • Phason
    • Phonon
    • Structure factor (Au-substituted Al-Cu-Fe icosahedral phase: evidence for bond hybridization)
    • gold aluminum copper iron icosahedral phase
    • bond hybridization copper iron icosahedral phase


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