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Updated: May 31, 2026

Probing C84-embedded Si Substrate Using Scanning Probe Microscopy and Molecular Dynamics
Published on: September 28, 2016
First-principles study of the electronic structures and dielectric properties of the Si/SiO(2) interface
Tomoya Ono1, Yoshiyuki Egami, Katsuhiro Kutsuki
1Department of Precision Science and Technology, Graduate School of Engineering, Osaka University, 2-1 Yamada-oka, Suita, Osaka 565-0871, Japan.
Abstract:
A first-principles study of the electronic structures and dielectric properties of Si/SiO(2) interfaces is implemented. Comparing the interfaces with and without defects, we explore the relationship between the defects and the dielectric properties, and also discuss the effect of the defects on the leakage current between the gate electrode and silicon substrate. We found that the electrons around the Fermi level percolate into the SiO(2) layers, which reduces the effective oxide thickness and is expected to enhance the leakage current. The dangling bonds largely affect the dielectric properties of the interface and the termination of dangling bonds by hydrogen atoms is successful in suppressing the increase of the dielectric constant.
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