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Lattice Vibrations in Mixed Alkali Halide Crystals
Author(s) -
Gupta B. R. K.
Publication year - 1987
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.2221420108
Subject(s) - phonon , halide , alkali metal , shell model , lattice vibration , dispersion (optics) , lattice (music) , range (aeronautics) , shell (structure) , chemistry , molecular physics , materials science , condensed matter physics , atomic physics , physics , optics , inorganic chemistry , organic chemistry , acoustics , composite material
The phonon dispersion curves of two mixed alkali crystals KCl 0.5 Br 0.5 and K 0.5 Rb 0.5 Cl are calculated using the extended three‐body force shell model (ETSM). The ETSM developed in the present study consists of two short‐range overlap potential parameters ( A , B ), two long‐range three‐body interaction parameters ( f 0 , r 0 f ′ 0 ), two distortion polarizabilities ( d 1 , d 2 ), and two modified shell charge parameters ( Y 1 , Y 2 ). The results on phonon dispersion curves are found to agree reasonably well with the experimental curves of Beg and Kobbelt.