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, 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.
Articolo in rivista - Articolo scientifico
atom-solid interactions; atom-solid scattering and diffraction elastic; density functional theory; Green's function methods; jellium models; metallic surfaces; noble gases; physical adsorption
English
383
387
5
Trioni, M., Montalenti, F., Brivio, G. (1998). Ab-initio adiabatic noble gas-metal interaction: the role of the induced polarization charge. SURFACE SCIENCE, 401, 383-387 [10.1016/S0039-6028(98)00073-9].
Trioni, M; Montalenti, F; Brivio, G
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/10281/36009
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