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Temperature dependence of interatomic separation for alkali halides
Author(s) -
Fang ZhengHua
Publication year - 2004
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.200402073
Subject(s) - halide , alkali metal , thermal expansion , thermodynamics , isothermal process , interatomic potential , chemistry , grüneisen parameter , melting temperature , melting point , volume (thermodynamics) , materials science , inorganic chemistry , computational chemistry , molecular dynamics , physics , composite material , organic chemistry
A simple relation for predicting temperature dependence of the interatomic separation in alkali halides is developed based on the diffusional driving force models reported in the literature. The input parameters needed for the calculation are the volume thermal expansion coefficient and the isothermal Anderson–Gruneisen parameter both at room temperature and zero‐pressure, which are available from the literature. The tests on eight alkali halide crystals from room temperature to their melting points demonstrate that the agreement between the calculated results obtained by this relation and the corresponding experimental data is excellent. The comparisons with the other similar relations given by earlier workers also lent support strongly to the applicability of the relation presented here for the temperature dependence of interatomic separation for alkali halides. (© 2004 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)