In this paper, we provide an estimate of the energy and the relaxed structure for some low index surfaces of TiSi2 phases, as obtained by molecular dynamics simulations with an original tight binding potential. Comparison of the average surface tensions for C54 and C49 competing crystal structures is also obtained by the data of spherical clusters with increasing radius. We show that the C49 form displays a lower surface energy, and that in both cases surface relaxations and reconstructions are produced by an inward motion of the surface Ti atoms. © 2001 Elsevier Science B.V.

Iannuzzi, M., & Miglio, L. (2001). Surface energies and surface relaxation at TiSi2 competing phases. SURFACE SCIENCE, 479(1-3), 201-212 [10.1016/S0039-6028(01)00979-7].

Surface energies and surface relaxation at TiSi2 competing phases

MIGLIO, LEONIDA
2001-05

Abstract

In this paper, we provide an estimate of the energy and the relaxed structure for some low index surfaces of TiSi2 phases, as obtained by molecular dynamics simulations with an original tight binding potential. Comparison of the average surface tensions for C54 and C49 competing crystal structures is also obtained by the data of spherical clusters with increasing radius. We show that the C49 form displays a lower surface energy, and that in both cases surface relaxations and reconstructions are produced by an inward motion of the surface Ti atoms. © 2001 Elsevier Science B.V.
Articolo in rivista - Articolo scientifico
Scientifica
silicides
English
201
212
Iannuzzi, M., & Miglio, L. (2001). Surface energies and surface relaxation at TiSi2 competing phases. SURFACE SCIENCE, 479(1-3), 201-212 [10.1016/S0039-6028(01)00979-7].
Iannuzzi, M; Miglio, L
File in questo prodotto:
Non ci sono file associati a questo prodotto.

I documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.

Utilizza questo identificativo per citare o creare un link a questo documento: http://hdl.handle.net/10281/8766
Citazioni
  • Scopus 13
  • ???jsp.display-item.citation.isi??? 13
Social impact