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Localization of Electrons in Intermetallic Phases Containing Aluminum

1994; Wiley; Volume: 33; Issue: 20 Linguagem: Inglês

10.1002/anie.199420691

1521-3773

Ulrich Häußermann, Steffen Wengert, Patrick Hofmann, Andreas Savin, O. Jepsen, Reinhard Nesper,

Boron and Carbon Nanomaterials Research

Many forms of chemical bonding are exhibited by Al in intermetallic and Zintl phases. This is revealed by the calculation of the electron localization function for the series Al, CaAl 2 , SrAl 2 , BA1 4 , CaAl 2 Si 2 , and Si. With this procedure it is possible to distinguish clearly between metallic, covalent multicenter, and homo‐ and hetero‐nuclear single bonding.