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Analysis of Anharmonic Properties of Some Partially Covalent Crystals
Author(s) -
Singh R. K.,
Khare 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.2221240103
Subject(s) - anharmonicity , van der waals force , halide , thermoelastic damping , coulomb , thallium , thermodynamics , ion , range (aeronautics) , materials science , chemistry , condensed matter physics , physics , thermal , inorganic chemistry , quantum mechanics , molecule , organic chemistry , electron , composite material
The anharmonic properties of silver, thallium, and copper halides are analysed by means of a new interionic potential model which incorporates theeffects of the long‐range Coulomb and three‐body interactionsand the short‐range van der Waals (vdW) attraction and overlap repulsion extended up to the second‐neighbour ions. The model potential is applied to investigate the third‐order elastic constants and the pressure derivatives of second‐order elastic constants of the crystals. Additively some thermodynamic and thermoelastic behaviours of these solids are calculated. The results agree fairly well with the available experimental data and show a consistent trend throughout.