A Cluster Model Treatment of Oxygen Adsorption on Simulated Silicon Surfaces by using Large Silicon Clusters
Oxygen adsorption on simulated silicon surfaces is examined by using substantially large clusters including artificial atoms called siligens. Reasonably good convergence of oxygen bond strength to the surfaces is achieved with the use of a small number of silicon sublayers. It is found that the less-examined Si(110) surface yields the strongest bond with bridge site oxygen atoms at low sub-monolayer coverages. Particularly for the Si(100), the bond strength of oxygen does not vary appreciably with respect to monolayer surface coverage, thus implying minimal interatomic interactions between adsorbed oxygen atoms among the three surface orientations.
T. Oshiro et al., "A Cluster Model Treatment of Oxygen Adsorption on Simulated Silicon Surfaces by using Large Silicon Clusters," Solid State Communications, vol. 100, no. 6, pp. 439-444, Elsevier, Nov 1996.
The definitive version is available at https://doi.org/10.1016/0038-1098(96)00296-7
Keywords and Phrases
Bond Strength (Chemical); Film Growth; Gas Adsorption; Interfaces (Materials); Artificial Atoms Siligens; Interatomic Interactions; Oxygen Bond Strength Convergence; Simulated Silicon Surfaces; Semiconducting Silicon
International Standard Serial Number (ISSN)
Article - Journal
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