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First-Principles Study of SI(lll) Homoepitaxy

Published online by Cambridge University Press:  10 February 2011

Kyeongjae Cho  and
Efthimios Kaxiras
Kyeongjae Cho
Affiliation:
Mechanlics and Computation Division, Department of Mechanical Engineering, Stanford University, Stanford, CA 94305, [email protected]
Efthimios Kaxiras
Affiliation:
Department of Physics and Division of Engineering and Applied Sciences, Harvard University, Cambridge, MA 02138, [email protected]
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Abstract

Epitaxial growth on the Si(111) surface is studied using first-principles total-energy pseudopotential calculations. The energetics of added Si atoms essentially determines epitaxial growth modes under different growth conditions (surface temperature, Si flux rate, and surface step density). We have determined the surface adatom diffusion barriers and cluster formation energies; we use these microscopic energy parameters to address the possibilities for macroscopic morphological evolution of the surface under different conditions.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 538: Symposium J – Multiscale Modelling of Materials , 1998 , 341
Copyright
Copyright © Materials Research Society 1999

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References

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