Oxidation of dimers at the Si(100) surface studied by first-principles simulation of high-resolution EELS
Articolo
Data di Pubblicazione:
2010
Citazione:
Oxidation of dimers at the Si(100) surface studied by first-principles simulation of high-resolution EELS / L. Caramella, C. Hogan, G. Onida, R. Del Sole. - In: PHYSICA STATUS SOLIDI B-BASIC RESEARCH. - ISSN 0370-1972. - 247:8(2010 Jun 14), pp. 1946-1950. ((Intervento presentato al 8. convegno Optics of surfaces and interfaces tenutosi a Ischia, Italia nel 2009 [10.1002/pssb.200983952].
Abstract:
Electron energy loss spectra of the Si(100) and Si(100):O
surfaces are investigated using ab initio methods based on
density functional theory. Computed spectra for the clean
surface are found to be in good agreement with published
experimental data, providing further confirmation that reconstructions
of higher order than (2 1) are present on Si(100).
The origins of the main spectral structures are analyzed and
their relation to the surface bandstructure is illustrated. Oxygen
adsorption on the surface dimers is found to cause strong
modifications to the calculated spectra, thereby partially
explaining the results of surface differential reflectivity
experiments.
Tipologia IRIS:
01 - Articolo su periodico
Elenco autori:
L. Caramella, C. Hogan, G. Onida, R. Del Sole
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