Ab initio investigation of C incorporation mechanisms on Si(001)

Ab initio investigation of C incorporation mechanisms on Si(001)

Ab initio calculations were performed to investigate adsorption and diffusion of C on the Si(001) surface at different surface and subsurface sites. Incorporation mechanisms of both substitutional and interstitial C during film deposition and growth were proposed. A surface diffusion process resulti...

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Veröffentlicht in:Applied physics letters 2000-02, Vol.76 (7), p.885-887
Hauptverfasser: Liu, C.-L., Borucki, L. J., Merchant, T., Stoker, M., Korkin, A.
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container_issue 7
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container_title Applied physics letters
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creator Liu, C.-L.
Borucki, L. J.
Merchant, T.
Stoker, M.
Korkin, A.
description Ab initio calculations were performed to investigate adsorption and diffusion of C on the Si(001) surface at different surface and subsurface sites. Incorporation mechanisms of both substitutional and interstitial C during film deposition and growth were proposed. A surface diffusion process resulting in interstitial C incorporation was identified and the calculated energy barrier of ∼1.0 eV is consistent with the experimental value of 0.94±0.04 eV. The results support experimental observations of several groups: higher growth rates and lower temperatures favor the substitutional C incorporation.
doi_str_mv 10.1063/1.125618
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title Ab initio investigation of C incorporation mechanisms on Si(001)
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