Presentation Information
[10a-N401-4]Atomic Scale Insights into Structures of Si Thermal Oxide/Si Interface
〇Hiroyuki Kageshima1, Insung Seo1, Toru Akiyama2, Kenji Shiraishi3 (1.Shimane Univ., 2.Mie Univ., 3.Tohoku Univ.)
Keywords:
Si oxidation,interface structure,first-principles calculation
We propose a novel interface model that more comprehensively reflects the structural characteristics of the thermal Si oxide/Si interface, extending beyond the previously used quartz/Si interface model. This new model is constructed based on the known thermal growth mechanisms of Si oxide films, which are believed to involve Si emission during oxidation. It aligns well with both theoretical and experimental evidence regarding the presence and atomic structure of the interfacial high-density oxide layer. Additionally, it is consistent with the observed average density and atomic structure of thermally grown Si oxide films. Importantly, the model is free of dangling bonds, which are known to introduce interfacial defects. As a result, this simple yet robust model effectively captures the averaged structural properties of the thermal oxide interface with broader applicability.