We investigate adatom self-diffusion on the rebonded step (RS) reconstructed Ge(105) surface. Activation energies for several paths are computed ab initio by applying the nudged elastic band method and used as input parameters for kinetic Monte Carlo simulations. We show that the RS reconstruction strongly influences adatom kinetics, which turns out to be fast at typical experimental temperatures, along both [010] and [(5) over bar 01] directions. The influence of strain on diffusion is also investigated. Our results are shown to be relevant for a better understanding of the growth modality of Ge pyramids on Si(001).

Montalenti, F., Migas, D., Gamba, F., Miglio, L. (2004). Fast isotropic adatom diffusion on Ge(105) dot facets. PHYSICAL REVIEW. B, CONDENSED MATTER AND MATERIALS PHYSICS, 70(24), 1-8 [10.1103/PhysRevB.70.245315].

Fast isotropic adatom diffusion on Ge(105) dot facets

MONTALENTI, FRANCESCO CIMBRO MATTIA;MIGLIO, LEONIDA
2004

Abstract

We investigate adatom self-diffusion on the rebonded step (RS) reconstructed Ge(105) surface. Activation energies for several paths are computed ab initio by applying the nudged elastic band method and used as input parameters for kinetic Monte Carlo simulations. We show that the RS reconstruction strongly influences adatom kinetics, which turns out to be fast at typical experimental temperatures, along both [010] and [(5) over bar 01] directions. The influence of strain on diffusion is also investigated. Our results are shown to be relevant for a better understanding of the growth modality of Ge pyramids on Si(001).
Articolo in rivista - Articolo scientifico
Surface diffusion, DFT; islands; facets
English
dic-2004
70
24
1
8
245315
open
Montalenti, F., Migas, D., Gamba, F., Miglio, L. (2004). Fast isotropic adatom diffusion on Ge(105) dot facets. PHYSICAL REVIEW. B, CONDENSED MATTER AND MATERIALS PHYSICS, 70(24), 1-8 [10.1103/PhysRevB.70.245315].
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/10281/1741
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