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Unoccupied electronic resonances of Sc adsorbed on W(001) by k-resolved inverse photoemission

Scandium adsorbed on the (001) face of tungsten has been studied using Auger-electron spectroscopy, low-energy electron diffraction, k-resolved inverse photoelectron spectroscopy, work-function measurements, and relativistic-electronic-structure calculations. We find that the work function of W(001) does not decrease monotonically as a function of scandium adsorption but reaches a minimum value of Phi = 3.25 eV at 50% coverage. For a complete monolayer, an order 1 X 1 Sc overlayer is formed. Inverse photoemission in the isochromat mode was used to map the unoccupied energy levels of this overlayer along the bar-Gamma(bar-Mu) symmetry direction of the surface Brillouin zone. Local-density-functional calculations using the muffin-tin orbital method were performed for a 1 X 1 Sc overlayer on W and are compared with the experimental two-dimensional band structure.

Lamouri, A.↗

Geometry and Unoccupied Electronic States of Ba and BaO on W(001)

A study aimed at understanding the geometrical and electronic properties of barium and oxygen coadsorbed on the tungsten(001) surface has been carried out by means of work-function measurements (Delta-phi), Auger-electron spectroscopy, low-energy electron diffraction, inverse photoelectron spectroscopy, and relativistic-electronic-structure calculations. A report of the experimental measurements and a comparison with theoretical results from embedded-cluster-model calculations are presented. Our experimental studies show that the work function of the W(001) surface (phi = 4.63 eV) is lowered to approximately 2.3-2.4 eV by coadsorption of 1 ML of Ba and O regardless of the order of deposition of these two species. The technique of IPS in the isochromat mode was used to determine the unoccupied electronic-energy band structure for ordered c (2 X 2) Ba and O layers on W(001). Several spectral features are observed above the Fermi level (E(F)), which we assign to transitions into Ba and W d-states. The measured two-dimensional electronic band structure is independent of the order of Ba and O deposition. Using embedded-cluster-model calculations, we investigated two possible adsorption configurations of an ordered c(2 X 2) adlayer of Ba and O on W(001): 'tilted,' where Ba and O are placed on alternate fourfold-hollow sites, and 'upright,' where the adsorbed atoms lay above the same site with Ba outer-most. The calculated densities of states for the tilted geometry show distinct peaks above E(F) originating from Ba and W d-orbitals and are in good agreement with the experimental results.

Lamouri, A.↗