A theoretical study of Fe adsorption along Bi-nanolines on the H/Si(0 0 1) surface

R. H. Miwa, W. Orellana, G. P. Srivastava

Resultado de la investigación: Contribución a una revistaArtículorevisión exhaustiva

2 Citas (Scopus)

Resumen

We have investigated the energetic stability and equilibrium geometry of the adsorption of transition metal Fe atoms near the self-organized Bi lines on hydrogen passivated Si(0 0 1) surface. Our total energy results show that there is an attractive interaction between Fe adatoms along the Bi-nanolines. For the energetically most stable configuration, the Fe adatoms are seven-fold coordinated, occupying the subsurface interstitial sites aside the Bi-nanolines. With increased coverage, Fe atoms are predicted to form two parallel lines, symmetrically on both sides of the Bi line. Within our local spin-density functional calculations, we find that for the most stable geometries the Fe adatoms exhibit an antiferromagnetic coupling.

Idioma originalInglés
Páginas (desde-hasta)96-98
Número de páginas3
PublicaciónApplied Surface Science
Volumen254
N.º1 SPEC. ISS.
DOI
EstadoPublicada - 31 oct 2007

Áreas temáticas de ASJC Scopus

  • Química (todo)
  • Física de la materia condensada
  • Física y astronomía (todo)
  • Superficies e interfaces
  • Superficies, recubrimientos y láminas

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