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Interionic Forces and Elastic Properties of Na 2 S
Author(s) -
Agnihotri Neeta,
Singh R. K.,
Sanyal S. P.
Publication year - 1984
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.2221250112
Subject(s) - coulomb , range (aeronautics) , force constant , elastic energy , ion , materials science , atomic physics , energy (signal processing) , thermodynamics , condensed matter physics , chemistry , physics , molecule , quantum mechanics , composite material , electron
An interionic potential model is proposed for crystals with antifluorite structure which consists of long‐range Coulomb and three‐body interactions (TBI), and short‐range dispersive and repulsive interactions up to second‐neighbour ions. This potential is used to calculate the cohesive energy, second‐order elastic constants, and their pressure derivatives of Na 2 S. The calculated values of elastic constants and cohesive energy agree well with their measured data which shows that the TBI contribute significantly to these properties.