Within an ab-initio DFT-LDA framework, we have investigated the polarization induced on He and Ne atoms by a jellium (Al-like) surface. It is shown that the displaced charge of the gas-metal system is spherically distributed around Ne. It is polarized instead for He with a dipole moment having the negative lobe towards the jellium surface. A relationship between the two different polarizations of He and Ne with corrugating and anti-corrugating behavior is discussed.
Trioni, M., Montalenti, F., Brivio, G. (1998). Ab-initio adiabatic noble gas-metal interaction: the role of the induced polarization charge. SURFACE SCIENCE, 401(1), 383-387 [10.1016/S0039-6028(98)00073-9].
Ab-initio adiabatic noble gas-metal interaction: the role of the induced polarization charge
MONTALENTI, FRANCESCO CIMBRO MATTIA;BRIVIO, GIANPAOLO
1998
Abstract
Within an ab-initio DFT-LDA framework, we have investigated the polarization induced on He and Ne atoms by a jellium (Al-like) surface. It is shown that the displaced charge of the gas-metal system is spherically distributed around Ne. It is polarized instead for He with a dipole moment having the negative lobe towards the jellium surface. A relationship between the two different polarizations of He and Ne with corrugating and anti-corrugating behavior is discussed.
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