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.
Ab-initio adiabatic noble gas-metal interaction: the role of the induced polarization charge
Trioni MI;
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.File in questo prodotto:
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