Molecular Dynamics Simulation of the Interactions of H Radicals with a Hydrogenated Si(001) Surface
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概要
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In order to analyze the effects of the surface H atoms on elementary surface reactions, we repeated molecular dynamics simulations in which an H radical fell onto a hydrogen-terminated Si(001) surface. As a result of the simulation, we found that high hydrogen coverage inhibits H radicals from being adsorbed within the silicon substrate. Hydrogen radicals mainly caused adsorption or the H abstraction reaction, which generated several kinds of local surface structures with dangling bonds, and it was suggested that various local surface structures coexist on a growing surface. The local surface structure significantly affected the result, and its reactivity was high when the structure had a dangling bond, although a small difference in results was observed depending on the surrounding structures. These results indicate that the change in the local surface structure caused by H radicals may induce subsequent surface reactions. [DOI: 10.1143/JJAP.41.1507]
- 社団法人応用物理学会の論文
- 2002-03-15
著者
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Hirao Masahiko
Department Of Chemical System Engineering School Of Engineering The University Of Tokyo
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MURAMATSU Shinya
Department of Molecular and Cell Biology, Forestry and Forest Products Research Institute, Departmen
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Muramatsu Shinya
Department Of Chemical System Engineering School Of Engineering The University Of Tokyo
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HIRAO MASAHIKO
Department of Chemical Engineering, University of Tokyo
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