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Many-body study of ionic states in adsorption systems: Cl-Si(100)-(2 × 1)

AutorRefolio, M. C.; López Sancho, José María ; Rubio, J. ; López-Sancho, María Pilar
Palabras claveSilicon
Semiconducting surfaces
Photoelectron spectroscopy
Many body quasi-particle theories
Green's function methods
Desorption induced by electronic transitions (DIET)
Fecha de publicación1997
CitaciónSurface Science 372: L279- L284 (1997)
ResumenIn this Letter we study the excited states formed upon removal of one electron from the Cl-Si(100)-(2 × 1) adsorption system. Their excitation energies, charge distributions and excitation mechanisms are discussed by means of a many-body approach specially suited to take into account the possibility of hole localization. The main emphasis is given to the threshold energies of Cl+ desorption. It is found that only some one-hole excitations are sufficiently long-lived to survive all the way out to vacuum and thus lead to Cl+ desorption. This long life is conferred by the presence of localized electron-hole pairs (eh) in the final state. The screening electron, placed in the antibonding level of the bond, stabilizes both the primary hole and its partner hole in the eh pair. Our calculated density of states for the adsorbate in the valence region agrees with the photoemission spectrum, in contrast with previous calculations. 1997 Elsevier Science B.V.
Identificadoresdoi: 10.1016/S0039-6028(96)01236-8
issn: 0039-6028
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