The relationship between experimental and calculated point defect energies
Open Access
- 1 January 1981
- journal article
- Published by EDP Sciences in Journal de Physique Lettres
- Vol. 42 (15) , 369-372
- https://doi.org/10.1051/jphyslet:019810042015036900
Abstract
The temperature dependence of the Schottky defect formation enthalpy, hp, and of the Schottky formation energy at constant volume, uv, have been calculated for NaCl and KCl. The quasi-harmonic approximation was used with well-proven lattice simulation methods and interionic potentials. hp increases with temperature whereas uv decreases and close to the melting point is approximately 70 % of h p. The implications of these results for the energy and entropy terms derived from the analysis of experimental transport data are examinedKeywords
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