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A Co‐Ordinated Approach to the Calculation of Lattice Parameter and Heat of Formation for Alkali Halide Solid Solutions
Author(s) -
Maity S. N.,
Roy D.,
Sengupta S.
Publication year - 1980
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.2220990134
Subject(s) - halide , alkali metal , lattice (music) , thermodynamics , solid solution , chemistry , boundary value problem , materials science , physics , mathematical analysis , mathematics , inorganic chemistry , organic chemistry , acoustics
Experimentally observed deviations of the lattice parameter from Vegards' law in alkali halide solid solutions are predicted from the boundary condition on the equation for the heat of formation. This also simultaneously makes the latter consistent with experimental results. The theory uses no experimental information of the solid solution and only the perfect crystal information is sufficient. The model is employed here to calculate the lattice parameter and heat of formation of ten alkali halide solid solutions over the entire concentration range. The agreement with the experimental results is quite satisfactory.