Carregant...
Carregant...

Vés al contingut (premeu Retorn)

Cluster model study of the chemisorption of atomic carbon on Si(100) surfaces

Autor
Torras, J.; Ricart, J.M.; Vilarrubias, P.; Fraxedas Calduch, Jordi
Tipus d'activitat
Article en revista
Revista
Journal of crystal growth
Data de publicació
1997-02-02
Volum
172
Número
1-2
Pàgina inicial
106
Pàgina final
114
DOI
https://doi.org/10.1016/S0022-0248(96)00711-7 Obrir en finestra nova
Repositori
http://hdl.handle.net/2117/6693 Obrir en finestra nova
URL
http://dx.doi.org/10.1016/S0022-0248(96)00711-7 Obrir en finestra nova
Resum
Structural parameters for chemisorption of atomic carbon above a Si(100) surface have been obtained through a Si35H 32 cluster model and a MINDO/3 hamiltonian. The most stable position has been found to be the bridge one when considering the unrelaxed surface. The stability increases about 14 kcal/mol when relaxation of the surface is allowed. Further research has been carried out using a reduced cluster model (SigH i2) at the ab initio Hartree-Fock level of calculation. Results confirm the incr...
Citació
Torras, J. [et al.]. Cluster model study of the chemisorption of atomic carbon on Si(100) surfaces. "Journal of crystal growth", 02 Febrer 1997, vol. 172, núm. 1-2, p. 106-114.
Grup de recerca
CRnE - Centre de Recerca en Ciència i Enginyeria Multiescala de Barcelona
IMEM-BRT- Innovation in Materials and Molecular Engineering - Biomaterials for Regenerative Therapies

Participants

  • Torras Costa, Juan  (autor)
  • Ricart Pla, Josep Manel  (autor)
  • Vilarrubias, Pere  (autor)
  • Fraxedas Calduch, Jordi  (autor)