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Study of Cohesion, Harmonic and Anharmonic Elastic Properties of CaF 2 —SrF 2 Mixed Crystals
Author(s) -
Singh R. K.,
Agnihotri Neeta,
Suryanarayana S. V.,
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.2221230207
Subject(s) - anharmonicity , van der waals force , coulomb , condensed matter physics , range (aeronautics) , cohesion (chemistry) , chemistry , materials science , atomic physics , physics , quantum mechanics , molecule , composite material , electron
Cohesive and harmonic and anharmonic elastic properties are investigated of CaF 2 —SrF 2 mixed crystals using a three‐body interaction potential which consists of the long‐range Coulomb and three‐body interactions and short‐range van der Waals‐attraction and overlap repulsion, effective upto the second neighbour ions. This two parameter model potential successfully predicts the cohesive energy, the higher order elastic constants, and the pressure derivatives of the second order elastic constants of CaF 2 —SrF 2 mixed crystals.