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First-principles calculation of the effect of strain on the diffusion of Ge adatoms on Si and Ge (001) surfaces

Published online by Cambridge University Press:  11 February 2011

A. van de Walle ,
M. Asta  and
P. W. Voorhees
A. van de Walle
Affiliation:
Materials Science & Engineering Department, Northwestern University, Evanston, IL 60208–3108, 2/10/2003
M. Asta
Affiliation:
Materials Science & Engineering Department, Northwestern University, Evanston, IL 60208–3108, 2/10/2003
P. W. Voorhees
Affiliation:
Materials Science & Engineering Department, Northwestern University, Evanston, IL 60208–3108, 2/10/2003
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Abstract

First-principles calculations are used to calculate the strain dependencies of the binding and diffusion-activation energies for Ge adatoms on both Si(001) and Ge(001) c(4×2) reconstructed surfaces. Our calculations reveal that over the range of strains typically sampled during quantum dot self-assembly (0 to 1% compressive strain) the binding and activation energies on a strained Ge(001) surface increase and decrease, respectively, by 0.21 eV and 0.12 eV. For a growth temperature of 600 °C, these strain-dependencies give rise to a 16-fold increase in adatom density and a 5-fold decrease in adatom diffusivity in the region of compressive strain surrounding a Ge island with a characteristic size of 10 nm lying on top of a Si substrate covered by a Ge wetting layer.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 749: Symposium W – Morphological and Compositional Evolution of Thin Films , 2002 , W20.10
Copyright
Copyright © Materials Research Society 2003

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References

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