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Localization of Electrons in Intermetallic Phases Containing Aluminum
Author(s) -
Häussermann Ulrich,
Wengert Steffen,
Hofmann Patrick,
Savin Andreas,
Jepsen Ove,
Nesper Reinhard
Publication year - 1994
Publication title -
angewandte chemie international edition in english
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 5.831
H-Index - 550
eISSN - 1521-3773
pISSN - 0570-0833
DOI - 10.1002/anie.199420691
Subject(s) - intermetallic , electron localization function , covalent bond , materials science , chemical bond , aluminium , metallic bonding , crystallography , electron , metal , metallurgy , chemistry , physics , nuclear physics , organic chemistry , alloy
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.