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Oxidation of dimers at the Si(100) surface studied by first-principles simulation of high-resolution EELS (Articolo in rivista)
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- Label
- Oxidation of dimers at the Si(100) surface studied by first-principles simulation of high-resolution EELS (Articolo in rivista) (literal)
- Anno
- 2010-01-01T00:00:00+01:00 (literal)
- Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#doi
- 10.1002/pssb.200983952 (literal)
- Alternative label
Caramella L., Hogan C., Onida G., Del Sole R. (2010)
Oxidation of dimers at the Si(100) surface studied by first-principles simulation of high-resolution EELS
in Physica status solidi. B, Basic research; Wiley-VCH Verlag Gmbh, Weinheim (Germania)
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- Caramella L., Hogan C., Onida G., Del Sole R. (literal)
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- http://dx.doi.org/10.1002/pssb.200983952 In: Physica Status Solidi B-Basic Research, vol. 247 (8) pp. 1946 - 1950. Wiley, 2010. (literal)
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- ISI Web of Science (WOS) (literal)
- Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#affiliazioni
- Dipartimento di Fisica dell'Universita' degli Studi di Milano and European Theoretical Spectroscopy Facility (ETSF), Via Celoria 16, 20133 Milano, Italy
Dipartimento di Fisica, ETSF and CNR-INFM-SMC, Università di Roma Tor Vergata, Via della Ricerca Scientifica 1, 00133 Roma, Italy Dipartimento di Fisica dell'Universita' degli Studi di Milano and European Theoretical Spectroscopy Facility (ETSF), Via Celoria 16, 20133 Milano, Italy, Dipartimento di Fisica, ETSF and CNR-INFM-SMC, Universita` di Roma ''Tor Vergata'', Via della Ricerca Scientifica 1, Roma (literal)
- Titolo
- Oxidation of dimers at the Si(100) surface studied by first-principles simulation of high-resolution EELS (literal)
- 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. (literal)
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