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Cohesive and Anharmonic Properties of Some Fluorite Structure Nitrates
Author(s) -
Rao C. N.,
Singh R. K.,
Hasan S.
Publication year - 1992
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.2221690106
Subject(s) - anharmonicity , fluorite , coulomb , van der waals force , chemistry , strontium , ion , chemical physics , materials science , condensed matter physics , physics , molecule , quantum mechanics , organic chemistry , electron
A three‐body potential (TBP) model is used to describe the cohesive and anharmonic properties of strontium, barium, and lead nitrates of fluorite structure. This TBP model consists of the long‐range Coulomb and three‐body interactions and the short‐range van der Waals attraction and overlap repulsion effective up to the second neighbour ions. This model reveals a better description of the cohesion, third‐, and fourth‐order elastic constants, and pressure derivatives of the second‐order elastic constants of these nitrates than those obtained by earlier workers. The scope for improvements is also discussed.