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Diffusion of Si Adatoms on H-Terminated Si(001) Surfaces

Published online by Cambridge University Press:  10 February 2011

Takahisa Ohno ,
Jun Nara  and
Taizo Sasaki
Takahisa Ohno
Affiliation:
National Research Institute for Metals, Tsukuba-shi, Ibaraki 305, Japan
Jun Nara
Affiliation:
National Research Institute for Metals, Tsukuba-shi, Ibaraki 305, Japan
Taizo Sasaki
Affiliation:
National Research Institute for Metals, Tsukuba-shi, Ibaraki 305, Japan
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Abstract

We have investigated adsorption and diffusion processes of a Si atom on hydrogen-terminated Si(001)-(2×1) surfaces using first-principles total-energy calculations. The Si adatom segregates H atoms from surface Si dimer atoms on the monohydride terminated Si(001) surface. The migration of the Si adatom is assisted by the mobility of H atoms, that is, the Si adatom migrates on the surface by repeating release and capture of H atoms. The effects of a single H-terminated Si dimer on the Si migration are also examined. Calculated results are in good agreements with the variation in morphology of Si homoepitaxial films induced by hydrogen termination.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 492: Symposium S – Microscopic Simulation of Interfacial Phenomena in Solids… , 1997 , 275
Copyright
Copyright © Materials Research Society 1998

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References

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