Transferable model potential for liquid lithium

Citation
Em. Tammar et al., Transferable model potential for liquid lithium, J NON-CRYST, 250, 1999, pp. 24-29
Citations number
19
Categorie Soggetti
Apllied Physucs/Condensed Matter/Materiales Science
Journal title
JOURNAL OF NON-CRYSTALLINE SOLIDS
ISSN journal
00223093 → ACNP
Volume
250
Year of publication
1999
Part
1
Pages
24 - 29
Database
ISI
SICI code
0022-3093(199908)250:<24:TMPFLL>2.0.ZU;2-0
Abstract
The static and dynamic structure factors of liquid lithium near the melting point are calculated with the electron-ion potential of Fiolhais and co-wo rkers, which was originally developed for the solid state. After computing the effective pair potential u(r), we deduce the structure factor and the p air correlation function in the framework of the soft-core mean spherical a pproximation. Then, we calculate the dynamic structure factor S(q,omega) wi thin the viscoelastic model. The influence of the local-field correction is discussed by comparing the results with experimental measurements and the transferability of the model potential from solid to liquid environment is shown. (C) 1999 Elsevier Science B.V. All rights reserved.