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The lattice dynamics of metals using the Shaw model potential

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Published under licence by IOP Publishing Ltd
, , Citation J A Reissland and O Ese 1975 J. Phys. F: Met. Phys. 5 110 DOI 10.1088/0305-4608/5/1/016

0305-4608/5/1/110

Abstract

The optimized model potential proposed by Shaw (1968) is used in lattice dynamical theory of simple metals. The general expressions for the dispersion are given and results are presented for examples of simple metals, namely aluminium (fcc) sodium (bcc) magnesium (hcp) and also for thallium (hcp) and indium (bct). All except thallium give satisfactory dispersion curves. The phonon distribution is also given for these metals (omitting thallium). The overall procedure is shown to yield a good description of the lattice mechanical behaviour of metal but breaks down for the larger ions.

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10.1088/0305-4608/5/1/016