Interionic Potentials for Some Alkali Halides from Crystal Data Measured at Different Temperatures
Open Access
- 1 August 1974
- journal article
- Published by Walter de Gruyter GmbH in Zeitschrift für Naturforschung A
- Vol. 29 (8) , 1202-1205
- https://doi.org/10.1515/zna-1974-0814
Abstract
Values at different temperatures of lattice constants and their derivatives with respect to T. and of elastic constants were used to obtain the derivatives with respect to the minimum interionic distance of the repulsive potentials for the crystals CsCl, CsBr, ClI, NaCl, KCl and KBr. The derivatives thus calculated were then subjected to a computer fitting to yield the aij and b constants of the interionic repulsive pair potential: Rφij = aij exp{ - brij}.Keywords
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