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Автор A Meroni
Автор J P Hansen
Дата выпуска 1993-08-09
dc.description Results are reported of extensive molecular dynamics (MD) simulations of a simple model of the prototype metal-salt solution K<sub>x</sub>(KCl)<sub>1-x</sub>. The Coulomb interactions between ions are assumed to be screened by the degenerate valence electrons, within the Thomas-Fermi approximation. The main emphasis is on the concentration (x) dependence of the density and charge fluctuation spectra. The MD data for these spectra are analysed in terms of the extended mode concept, by fitting the data to superpositions of Lorentzians, with wavenumber-dependent coefficients. This analysis clearly shows the emergence, in addition to an extended acoustic (sound) mode, of a high-frequency optic mode at intermediate and low metal concentrations x. This mode may be considered as a remnant of the well known propagating charge fluctuation (or plasmon) mode in molten salts; at finite x the optic mode is strongly affected by electron screening. The subtle interplay between acoustic and optic modes is in qualitative agreement with the predictions of a recent generalized hydrodynamics analysis.
Формат application.pdf
Издатель Institute of Physics Publishing
Название A molecular dynamics investigation of longitudinal collective modes in metal-salt solutions
Тип paper
DOI 10.1088/0953-8984/5/32/002
Electronic ISSN 1361-648X
Print ISSN 0953-8984
Журнал Journal of Physics: Condensed Matter
Том 5
Первая страница 5701
Последняя страница 5722
Аффилиация A Meroni; Lab. de Phys., de l'Ecole Normale Superieure de Lyon, France
Аффилиация J P Hansen; Lab. de Phys., de l'Ecole Normale Superieure de Lyon, France
Выпуск 32

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