Ab initio investigation of C incorporation mechanisms on Si(001)
- 14 February 2000
- journal article
- conference paper
- Published by AIP Publishing in Applied Physics Letters
- Vol. 76 (7) , 885-887
- https://doi.org/10.1063/1.125618
Abstract
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 The results support experimental observations of several groups: higher growth rates and lower temperatures favor the substitutional C incorporation.
Keywords
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