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Effect of three‐body forces on thermophysical and anharmonic properties of rare gas solid mixtures
Author(s) -
Singh R. K.,
Neb D. K.,
Sanyal S. P.
Publication year - 1983
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.2221160134
Subject(s) - anharmonicity , van der waals force , dipole , rare gas , diatomic molecule , thermodynamics , range (aeronautics) , chemistry , interatomic potential , condensed matter physics , materials science , atomic physics , physics , computational chemistry , molecular dynamics , molecule , organic chemistry , composite material
The effects of three‐body forces on the thermophysical and anharmonic properties of rare gas solid (RGS) mixtures are investigated using the virtual crystal approximation and an interatomic potential consisting of the long‐range van der Waals dipole–dipole interaction and three‐body forces, the short‐range Born‐Mayer type overlap repulsion, and the zero‐point energy. The agreement between experimental and our theoretical results of various properties of the host RGS is, generally, better than obtained by most earlier workers. The results on RGS mixtures follow systematic trends identical to those of diatomic solid mixtures but reliance in them will be deferred until the report of the corresponding measured data.