DECOMPOSITION OF SiH4ON THE SATYPE STEPPED Si(100) SURFACE

KATIRCIOĞlu Şenay () and Şakir Erkoç
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KATIRCIOĞlu Şenay: Department of Physics, Middle East Technical University, 06531 Ankara, Turkey
Şakir Erkoç: Department of Physics, Middle East Technical University, 06531 Ankara, Turkey

Surface Review and Letters (SRL), 2002, vol. 09, issue 03n04, 1401-1407

Abstract: The density functional theory method is used to explore the mechanism of dissociative adsorption of silane (SiH4) on the SAtype stepped Si(100) surface. Two reaction paths are described that produce silyl (SiH3) and hydrogen atom fragments adsorbed on the dimer bonds present on each terrace. It has been found that the initial stage of the dissociation of SiH4on the SAtype stepped Si(100) surface shows similarity to the dissociation of SiH4on the flat Si(100) surface; SiH3and hydrogen fragments bond to the Si dimer atoms by following the first reaction path.

Keywords: SiH4; silane; decomposition; stepped Si(100) surface; density functional theory; B3LYP; 71.15.-m; 71.15.Mb; 71.24.+q (search for similar items in EconPapers)
Date: 2002
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DOI: 10.1142/S0218625X02003901

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