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Three‐Body Force and Shell Model Contributions to Third‐Order Elastic Constants for Fluorite Structure Crystals
Author(s) -
Singh R.,
Shanker J.
Publication year - 1989
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.2221530111
Subject(s) - fluorite , third order , shell (structure) , shell model , force constant , displacement (psychology) , order (exchange) , materials science , thermodynamics , constant (computer programming) , crystallography , chemistry , physics , molecule , atomic physics , composite material , quantum mechanics , metallurgy , law , psychology , finance , political science , economics , computer science , psychotherapist , programming language
Abstract Expressions for the third‐order elastic constants of fluorite structure solids are derived by taking into account the three‐body forces and inter‐sublattice displacement through the shell model. The third‐order elastic constants and pressure derivatives of second‐order elastic constants are calculated for CaF 2 , SrF 2 , BaF 2 , and their mixed crystals. The results obtained with the help of present model show satisfactory agreement with experimental values.