Open AccessInterplay between the ionic and electronic density profiles in liquid metal surfaces
Author(s) -
L. González,
D. J. González,
M. J. Stott
Publication year - 2005
Publication title -
the journal of chemical physics
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.071
H-Index - 357
eISSN - 1089-7690
pISSN - 0021-9606
DOI - 10.1063/1.2125728
Subject(s) - ionic liquid , chemical physics , ionic bonding , materials science , valence (chemistry) , metal , molecular dynamics , wavelength , electronic structure , electronic density , density functional theory , molecular physics , ion , chemistry , computational chemistry , optoelectronics , organic chemistry , metallurgy , catalysis , biochemistry
First principles molecular dynamics simulations have been performed for theliquid-vapor interfaces of liquid Li, Mg, Al and Si. We analize the oscillatoryionic and valence electronic density profiles obtained, their wavelengths andthe mechanisms behind their relative phase-shift.Comment: Accepted for publication in Journal of Chemical Physic
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