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    题名: Properties of valuable new intermetallics: Brewer–Engel model applied to the bonding of transition metal dialuminides
    作者: Brewer, Leo;Krushwitz, Karen;Lamoreaux, Robert;吳慧芬;Wu, Hui-fen
    贡献者: 淡江大學化學學系
    关键词: A. Intermetallics, miscellaneous;A. Aluminides, miscellaneous;B. Electronic structure of metals and alloys;Rare-earth intermetallics;Bonding
    日期: 2003-11-01
    上传时间: 2009-12-01
    出版者: Elsevier
    摘要: The Brewer–Engel Theory is a model capable of predicting novel materials, used in the past in particular for quite stable intermetallics based on the reaction of metals with non-bonding d electron pairs combined with metals with empty d orbitals. In this paper are shown the calculation procedures for bonding energies of 1:2 transition metal aluminide compounds characterized by MgCu2 crystal structures. The model utilizes parameters that include crystal field effect, Hume-Rothery Rules, and a modified Born–Haber cycle to characterize covalent and ionic bonding contribution of alloys. Interactions between transition metals exhibit enhanced d-bonding, whereas interactions between transition metals and non-transition metals exhibit reduced d-bonding. From the bonding energies, the percentage ionicity factor is determined which is an indication of the stability of the intermetallic compound.
    關聯: Intermetallics 11(11-12), pp.1103-1109
    DOI: 10.1016/j.intermet.2003.09.005
    显示于类别:[化學學系暨研究所] 期刊論文

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