TY - JOUR
T1 - Modeling of a SiO2/Si(001) structure including step and terrace configurations
AU - Watanabe, Takanobu
AU - Ohdomari, Iwao
N1 - Funding Information:
This work has been supported by a Grant-in-Aid for Scientific Research (B) from the Ministry of Education, Science, Sport and Culture, Japan, and founded partly by a Research for the Future from Japan Society for the Promotion of Science (JSPS).
PY - 2000/8/1
Y1 - 2000/8/1
N2 - Large-scale modeling of a SiO2/Si(001) structure including a couple of monoatomic steps has been performed by using a novel inter-atomic potential energy function for Si, O mixed systems. The SiO2 film was formed by layer-by-layer insertion of O atoms into Si-Si bonds of Si(001) 2×1 reconstructed surface misoriented from surface normal by 3.2°. Just after the backbond oxidation of the dimer structures, a clear difference in the structural order of oxide films appeared between two types of terraces on which the dimer rows run perpendicular and parallel to the step lines. The difference is explained by the difference in stretching directions of Si-Si intervals into which O atoms are inserted. It was also found that the oxide structure near the step preferentially became amorphous after further oxidation. These results suggest a possibility that the structure of thin oxide film can be controlled by the initial Si surface preparation.
AB - Large-scale modeling of a SiO2/Si(001) structure including a couple of monoatomic steps has been performed by using a novel inter-atomic potential energy function for Si, O mixed systems. The SiO2 film was formed by layer-by-layer insertion of O atoms into Si-Si bonds of Si(001) 2×1 reconstructed surface misoriented from surface normal by 3.2°. Just after the backbond oxidation of the dimer structures, a clear difference in the structural order of oxide films appeared between two types of terraces on which the dimer rows run perpendicular and parallel to the step lines. The difference is explained by the difference in stretching directions of Si-Si intervals into which O atoms are inserted. It was also found that the oxide structure near the step preferentially became amorphous after further oxidation. These results suggest a possibility that the structure of thin oxide film can be controlled by the initial Si surface preparation.
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U2 - 10.1016/S0169-4332(00)00179-3
DO - 10.1016/S0169-4332(00)00179-3
M3 - Conference article
AN - SCOPUS:0034249108
SN - 0169-4332
VL - 162
SP - 116
EP - 121
JO - Applied Surface Science
JF - Applied Surface Science
T2 - 5th International Symposium on Atomically Controlled Surfaces, Interfaces and Nanostructures (ACSIN-5)
Y2 - 6 July 1999 through 9 July 1999
ER -