Electronic spectral properties of surfaces and adsorbates and atom-adsorbate van der Waals interactions

Journal Article · Tue Nov 15 00:00:00 EST 1988 · Phys. Rev. B: Condens. Matter; (United States)

DOI:https://doi.org/10.1103/PhysRevB.38.10323· OSTI ID:6738275

Lovric, D; Gumhalter, B

The relevance of van der Waals interactions in the scattering of neutral atoms from adsorbates has been recently confirmed by highly sensitive molecular-beam techniques. The theoretical descriptions of the collision dynamics which followed the experimental studies have necessitated very careful qualitative and quantitative examinations and evaluations of the properties of atom-adsorbate van der Waals interactions for specific systems. In this work we present a microscopic calculation of the strengths and reference-plane positions for van der Waals potentials relevant for scattering of He atoms from CO adsorbed on various metallic substrates. In order to take into account the specificities of the polarization properties of real metals (noble and transition metals) and of chemisorbed CO, we first calculate the spectra of the electronic excitations characteristic of the respective electronic subsystems by using various data sources available and combine them with the existing theoretical models. The reliability of the calculated spectra is then verified in each particular case by universal sum rules which may be established for the electronic excitations of surfaces and adsorbates. The substrate and adsorbate polarization properties which derive from these calculations serve as input data for the evaluation of the strengths and reference-plane positions of van der Waals potentials whose computed values are tabulated for a number of real chemisorption systems. The implications of the obtained results are discussed in regard to the atom-adsorbate scattering cross sections pertinent to molecular-beam scattering experiments.

• Research Organization: International Centre for Theoretical Physics, Trieste, Italy and Institute of Physics of the University, 41001 Zagreb, Yugoslavia
• OSTI ID: 6738275
• Journal Information: Phys. Rev. B: Condens. Matter; (United States), Vol. 38:15
• Country of Publication: United States
• Language: English

Related Subjects

75 CONDENSED MATTER PHYSICS
SUPERCONDUCTIVITY AND SUPERFLUIDITY
CARBON MONOXIDE
ADSORPTION
ATOM COLLISIONS
HELIUM
COLLISIONS
CROSS SECTIONS
METALS
POTENTIALS
SCATTERING
SUBSTRATES
SUM RULES
VAN DER WAALS FORCES
CARBON COMPOUNDS
CARBON OXIDES
CHALCOGENIDES
ELEMENTS
EQUATIONS
FLUIDS
GASES
NONMETALS
OXIDES
OXYGEN COMPOUNDS
RARE GASES
SORPTION
656003* - Condensed Matter Physics- Interactions between Beams & Condensed Matter- (1987-)