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Structural investigation of the laves phase MgZn 2 with model potential calculations
Author(s) -
Rennert P.,
Radwan A. M.
Publication year - 1977
Publication title -
physica status solidi (b)
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.51
H-Index - 109
eISSN - 1521-3951
pISSN - 0370-1972
DOI - 10.1002/pssb.2220790117
Subject(s) - intermetallic , laves phase , phase (matter) , simple (philosophy) , materials science , thermodynamics , statistical physics , chemistry , physics , metallurgy , philosophy , organic chemistry , alloy , epistemology
The structure of the intermetallic compound MgZn 2 is investigated using Shaw's model potential. The calculations are carried out using different model potential parameters of Zn. Variations of the axial ratio c / a and the parameter x in the Kagomé nets are studied. Charge transfer, which is taken into account in an approximate and simple way, plays an important role in the determination of the stable structure of MgZn 2 . Staking fault energy is also calculated.