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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.

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References

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