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Evaluation of Third‐Order Elastic Constants and Pressure Derivatives of Second‐Order Elastic Constants for AgCl–AgBr Mixed Crystals
Author(s) -
Shanker J.,
Jain G. D.,
Sharma S. K.
Publication year - 1981
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.2221040107
Subject(s) - van der waals force , dipole , third order , quadrupole , chemistry , thermodynamics , order (exchange) , condensed matter physics , computational chemistry , atomic physics , physics , molecule , philosophy , theology , finance , economics , organic chemistry
Abstract Six third‐order elastic constants and the first pressure derivatives of second‐order elastic constants for AgCl–AgBr mixed crystals with varying compositions are evaluated. Suitable interionic potentials are developed for mixed crystals starting from an analysis of potentials in pure crystals. Long‐range electrostatic forces, the overlap repulsive forces extended up to second neighbours, the van der Waals dipole–dipole and dipole–quadrupole interactions, and three‐body forces are considered. Calculated values of the pressure derivatives of second‐order elastic constants are found to present reasonable agreement with experimental data.