A comparative study of interatomic potentials for alkali metals is presented. Both, the interaction functions which are derived from phonon-dispersion curves and Heine-Abarenkov-Shaw optimized model potentials are given. For comparison with experimental data some defect cslculations are made to obtain the vacancy formation and migration energies in Li, Na, K, and Rb.Eine vergleichende Untersuchung von Zwischenatompotentialen fiir Alkalimetalle wird durchgefiihrt. Beide Wecheelwirkungsfunktionen, abgeleitet aus den Phonon-Dispersionskumen und aus dem optimierten Heine-Abarenkov-Shew-Modellpotential, werden angegeben. Zum Vergleich mit experimentellen Daten werden einige Defektberechnungen durchgefiihrt, um die Leerstellenbildungs-und die Leerstellenwanderungsenergie in Li, Na, K-und Rb zu erhelten. Computational Method Empirical p o t e n t i d sThe empirical potential functions for Li, Na, K, and Rb were constructed following the unrelaxed vacancy formation energy (EV"); an approximation of the potential function at r, = 0.6r1 (rl first-nearest-neighbour the procedure as described in Section 3 of [Z, 31 using the following input date: distance) ; l) Mekelweg 16,2600 GA Delft, Nederland. *) Nijenborgh 18,9747 AG Groningen, The Netherlands. 15 physica (b) 90/1
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