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Structural energetics of the intermetallic compounds CaMg 2 and CaAl 2
Author(s) -
Radwan A. M.
Publication year - 1988
Publication title -
crystal research and technology
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.377
H-Index - 64
eISSN - 1521-4079
pISSN - 0232-1300
DOI - 10.1002/crat.2170230523
Subject(s) - intermetallic , energetics , crystal structure , crystallography , charge (physics) , chemistry , materials science , mineralogy , physics , metallurgy , thermodynamics , alloy , quantum mechanics
The structures of the Laves phases CaMg 2 and CaAl 2 are investigated using the optimized model potential. Charge transfer, which is taken into account in an approximate and simple way, plays an important role in the determination of the stable crystal structures of both CaMg 2 and CaAl 2 .