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Study of thermophysical and anharmonic properties of fluorite compounds
Author(s) -
Singh R. K.,
Pandey N. K.
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.2221150227
Subject(s) - anharmonicity , fluorite , van der waals force , thermodynamics , compressibility , thermal expansion , coulomb , range (aeronautics) , atmospheric temperature range , chemistry , materials science , condensed matter physics , organic chemistry , physics , molecule , composite material , quantum mechanics , electron
An extensive study is made of thermophysical and anharmonic properties of fluorite compounds using an interionic potential, which consists of a long‐range Coulomb and three‐body interactions and the short‐range overlap repulsion and van der Waals attraction. The agreement achieved between experimental and the theoretical results on third‐order elastic constants and pressure derivatives of second order elastic constants are generally better than those obtained by others. This potential succeeds in predicting various thermophysical properties, like compressibility and its pressure and temperature derivatives, thermal expansion and Grüneisen parameters of seven crystals of fluorite structure.