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Analysis of Crystal Binding and Thermoelastic Properties of Cuprous Halides, Silver Halides, and Thallous Halides
Author(s) -
Chaturvedi S. D.,
Dixit R. C.,
Sangachin A. A. S.
Publication year - 1988
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.2221470111
Subject(s) - halide , alkali metal , electron , bulk modulus , chemistry , valence electron , ion , inorganic chemistry , valence (chemistry) , lattice energy , silver halide , materials science , thermodynamics , crystal structure , crystallography , physics , organic chemistry , quantum mechanics , layer (electronics)
Crystals of cuprous halides, silver halides, and thallous halides are found to show significantly different behaviour from that of alkali halides. This difference is mainly due to the presence of outermost d‐electrons present in Cu + , Ag + , and Tl + ions. In the present paper an analytical potential form is used for the overlap repulsive energy derived by Harrison from quantum mechanical considerations. The parameters in this potential form have direct correlation with the valence state energies for outermost d‐electrons. The potential model is applied to calculate the cohesive energies, pressure derivatives of bulk modulus, Grüneisen parameter and its volume dependence using different existing theories.