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Evaluation of Electronic Dielectric Constant and Fractional Ionic Character of Mixed Alkali Halide Crystals
Author(s) -
Shanker J.,
Sharma S. C.
Publication year - 1986
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.2221360214
Subject(s) - ionic bonding , halide , character (mathematics) , dielectric , alkali metal , chemistry , constant (computer programming) , range (aeronautics) , thermodynamics , ion , inorganic chemistry , analytical chemistry (journal) , materials science , organic chemistry , physics , geometry , mathematics , optoelectronics , computer science , composite material , programming language
The electronic dielectric constant and fractional ionic character of the chemical bond are calculated for the mixed crystals NaClNaBr, KClKBr, KBrKI, CsClCsBr, CsClRbCl, and CsClKCl for the entire range of composition. The first four solid solutions are with common cations whereas the last two are formed of substances with common anions. For the electronic dielectric constant a comparison is given of the values calculated from the Clausius‐Mossotti relation and the Pantelides formulation. For evaluating the fractional ionic character application is made of Phillips' and Pauling's theories. The calculated values are found to depend sensitiviely on the composition parameter of mixed crystals.