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A Comparative Study of the Phenomenological Potentials for Ionic Crystals of Alkali Halides (II)
Author(s) -
Khwaja F. A.,
Razmi M. S. K.,
Naqvi S. H.
Publication year - 1989
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.2221560111
Subject(s) - halide , alkali metal , ionic bonding , thermodynamics , phase (matter) , materials science , chemistry , computational chemistry , inorganic chemistry , physics , ion , organic chemistry
A comprehensive study of some phenonenological interionic potentials is continued by developing further tests based on the calculation of cohesive energy, relative stability, and pressure induced solid‐solid phase transformation of alkali halides. A comparison of the results with some previous calculations and with experimental data is made.