Abstract
A semiempirical molecular orbital method of AM1 was employed to study the clean and hydrogen adsorbed Si(113) surfaces using atomic cluster models of Si16H21 and HSi16H21, or H2Si16H21 respectively. The calculations of formation heats suggest that a Si-H2 adsorption is easier to be formed than a Si-H adsorption. The forces on surface atoms show the tendencies of the surface atomic reconstructions. With these results, discussions on some recent experimental results and suggestion to the Si(113) surface atomic reconstruction model are also presented.
Translated title of the contribution | Influence of hydrogen adsorption on Si(113) surface |
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Original language | Chinese (Simplified) |
Pages (from-to) | 815-819 |
Journal | 半导体学报 |
Volume | 16 |
Issue number | 11 |
Publication status | Published - Nov 1995 |
Externally published | Yes |