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Interatomic potentials for alkali metals. A comparative study

delete2006-02-08
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DOI：10.1002/pssb.2220900124delete
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Abstract

Abstract

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AbstractA 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 calculations are made to obtain the vacancy formation and migration energies in Li, Na, K, and Rb.

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