Theory of Auger line shapes in chemisorption of Cl on Si(111)

Journal Article · Wed Feb 15 04:00:00 EST 1978 · Phys. Rev., B; (United States)

DOI:https://doi.org/10.1103/PhysRevB.17.1799· OSTI ID:5095236

Feibelman, P J; McGuire, E J; Pandey, K C

L/sub 1/L/sub 2,3/V and L/sub 2,3/VV Auger line shapes have been calculated for Cl and Si in the adsorption system Si(111) -Cl(1 x 1), based on an empirical tight-binding surface band-structure calculation. The fact that Cl and Si orbitals do not mix strongly means that the local densities of states (LDOS) at the Cl and Si atoms are very different; this difference is reflected in the predicted Cl and Si Auger spectra, and its experimental observation would be of considerable interest, as a demonstration that Auger spectra can provide local electronic structure information. The Si L/sub 1/L/sub 2,3/V spectra from clean and Cl-covered Si(111) will probably not be different enough, because of the breadth of the Si 2s level, to permit one to obtain useful information from their difference. However, if one uses a grazing incidence beam to enhance the contributions of the outermost Si layers, the differences between the Si L/sub 2,3/VV spectra for the clean and covered surfaces should be quite prominent, and will reflect the changes in the Si electron energy distribution induced by the formation of strong sigma- and weak ..pi..-bonds with the Cl. The calculated Cl spectra decompose readily into contributions from the s- and p-like components of the Cl LDOS and from convolutions of them, a fact which will permit the experimental determination of Auger matrix-element angular-momentum dependence.

• Research Organization: Sandia Laboratories, Albuquerque, New Mexico 87115
• OSTI ID: 5095236
• Journal Information: Phys. Rev., B; (United States), Journal Name: Phys. Rev., B; (United States) Vol. 17:4; ISSN PLRBA
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
360602* -- Other Materials-- Structure & Phase Studies
ADSORBENTS
AUGER ELECTRON SPECTROSCOPY
BAND THEORY
CHEMICAL REACTIONS
CHEMISORPTION
CHLORINE
ELECTRON SPECTROSCOPY
ELEMENTS
HALOGENS
NONMETALS
SEMIMETALS
SEPARATION PROCESSES
SILICON
SORPTION
SORPTIVE PROPERTIES
SPECTROSCOPY
SURFACE PROPERTIES
VALENCE