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Growth Mechanism of Si Dimer Rows on Si(001)

Published online by Cambridge University Press:  10 February 2011

T. Yamasaki ,
T. Uda  and
K. Terakura
T. Yamasaki
Affiliation:
Joint Research Center for Atom Technology, c/o National Institute for Advanced Interdisciplinary Research, Tsukuba-shi, Ibaraki, Japan
T. Uda
Affiliation:
Joint Research Center for Atom Technology, c/o National Institute for Advanced Interdisciplinary Research, Tsukuba-shi, Ibaraki, Japan
K. Terakura
Affiliation:
Joint Research Center for Atom Technology, c/o National Institute for Advanced Interdisciplinary Research, Tsukuba-shi, Ibaraki, Japan
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Abstract

Initial processes of Si dimer row growth on Si(001) surface is studied by the first principles molecular dynamics method. We optimize several different ad-Si clusters composed of one to four atoms on the surface and estimate activation energies for some important growth processes. At lower temperatures, a metastable ad-Si dimer in the trough between substrate dimer rows attracts monomers and tends to grow into a short diluted-dimer row in the perpendicular direction to the substrate dimer rows. In high temperatures as ad-Si dimers can diffuse, a direct dimer condensation process is possible to elongate the dense-dimer rows also in the perpendicular direction.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 408: Symposium P – Materials Theory, Simulations, and Parallel Algorithms , 1995 , 433
Copyright
Copyright © Materials Research Society 1996

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