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Evaluation of Third‐Order and Fourth‐Order Elastic Constants of Cesium Halides and Thallium Halides
Author(s) -
Shanker J.,
Singh J. P.,
Jain G. D.
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.2221050145
Subject(s) - halide , caesium , thallium , van der waals force , alkali metal , chemistry , third order , order (exchange) , thermodynamics , atomic physics , computational chemistry , inorganic chemistry , physics , molecule , philosophy , theology , organic chemistry , finance , economics
The third‐order and fourth‐order elastic constants for CsCl, CsBr, CsI, TlCl, and TlBr crystals are calculated taking into account the effect of Lundqvist's three body potential. The nearest neighbour and next‐nearest neighbour repulsive interactions and the Van der Waals interactions are also included according to a recent scheme developed for NaCl‐structure alkali halides. The three body charge transfer parameter and its derivatives are evaluated using an exponential form suggested by Cochran. The pressure derivatives of second‐order and third‐order elastic constants are also calculated for the crystals under study. The results obtained are found to be in reasonable agreement with available experimental data.