Energetics and diffusivity of indium-related defects in silicon (Articolo in rivista)

Type
Label
  • Energetics and diffusivity of indium-related defects in silicon (Articolo in rivista) (literal)
Anno
  • 2004-01-01T00:00:00+01:00 (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#doi
  • 10.1103/PhysRevB.69.085213 (literal)
Alternative label
  • Alippi, P; La Magna, A; Scalese, S; Privitera, V (2004)
    Energetics and diffusivity of indium-related defects in silicon
    in Physical review. B, Condensed matter and materials physics
    (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#autori
  • Alippi, P; La Magna, A; Scalese, S; Privitera, V (literal)
Pagina inizio
  • 85213 (literal)
Pagina fine
  • 85213 (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#numeroVolume
  • 69 (literal)
Rivista
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#pagineTotali
  • 8 (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#numeroFascicolo
  • 8 (literal)
Note
  • ISI Web of Science (WOS) (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#affiliazioni
  • CNR, IMM, Sez Catania, I-95121 Catania, Italy (literal)
Titolo
  • Energetics and diffusivity of indium-related defects in silicon (literal)
Abstract
  • We present a theoretical investigation on In-related defects in silicon, aimed at understanding In interactions with native defects, vacancy (V) and self-interstitial (I), and at determining the energy parameters needed to efficiently simulate and interpret the experimental profiles. Ab initio total-energy calculations within density- functional theory and in the generalized gradient approximation are performed in order to investigate equilibrium geometries and formation energies of substitutional In, In-I, and In-V complexes. We determine the migration energies of I- and V-mediated diffusion mechanisms, discussing the location of saddle points along the minimum-energy paths. Moreover, we report anomalous characteristics of the interactions between In and V with respect to other p-like dopants. The ab initio energetics are then implemented into a continuum model for In diffusion. This allows the accurate simulations of experimental secondary-ion-mass-spectroscopy profiles of implanted and annealed samples, at various process conditions (i.e., annealing temperature, implant energy). (literal)
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