Localization of Electrons in Intermetallic Phases Containing Aluminum

Abstract

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.