Role of coverage on the electronic properties of sulfur chemisorbed on Cu(100): Ab initio calculations (Articolo in rivista)

Type
Label
  • Role of coverage on the electronic properties of sulfur chemisorbed on Cu(100): Ab initio calculations (Articolo in rivista) (literal)
Anno
  • 2007-01-01T00:00:00+01:00 (literal)
Alternative label
  • Chiodo, L; Monachesi, P (2007)
    Role of coverage on the electronic properties of sulfur chemisorbed on Cu(100): Ab initio calculations
    (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#autori
  • Chiodo, L; Monachesi, P (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#numeroVolume
  • 75 (literal)
Note
  • ISI Web of Science (WOS) (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#affiliazioni
  • CNR, Natl Nanotechnol Lab, INFM, I-73100 Lecce, Italy; Univ Aquila, Dipartimento Fis, I-67100 Laquila, Italy; Ist Nazl Fis Mat, I-67100 Laquila, Italy (literal)
Titolo
  • Role of coverage on the electronic properties of sulfur chemisorbed on Cu(100): Ab initio calculations (literal)
Abstract
  • We present an ab initio study of the electronic properties of the S/Cu(100) surface, with sulfur chemisorbed in the c(2x2) geometry, and compare it with the p(2x2) phase. We find that the two geometries, observed, respectively, at 0.5 ML and 0.25 ML of sulfur coverage, affect both the density of states and the dispersion and charge distribution of the hybrid S-Cu electronic states. The same superstructures occur under suitable experimental conditions also when organic molecules containing a sulfur atom as a headgroup, like MBO and CH3S, are chemisorbed on Cu(100). We show that the electronic properties of the S-Cu hybrid in simple S/Cu(100) may be used to interpret succesfully the experimental results of these two complex molecular systems. (literal)
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