Interplay between the ionic and electronic density profiles in liquid metal surfaces.
First-principles molecular-dynamics simulations have been performed for the liquid-vapor interfaces of liquid Li, Mg, Al, and Si. We analyze the oscillatory ionic and valence electronic density profiles obtained, their wavelengths, and the mechanisms behind their relative phase shift.
González
L E
LE
Departamento de Físisca Teórica, Universidad de Valladolid, 47011 Valladolid, Spain. luisen@liql.fam.cie.uva.es
González
D J
DJ
Stott
M J
MJ