Presentation Information
[22p-12J-4]First-principles Study on Barrier Height of Silicon Emission from Interface into Oxide during Silicon Thermal Oxidation
〇Hiroyuki Kageshima1, Toru Akiyama2, Kenji Shiraishi3 (1.Shimane Univ., 2.Mie Univ., 3.Nagoya Univ.)
Keywords:
Si oxidation,Si emission,first-principles calculation
The SiO2/Si interface is formed through silicon oxidation and is not only utilized in the gate insulator/channel interface of traditional Si MOSFETs, but is also expected to appear to some extent in high-k/Si interfaces formed by atomic layer deposition. Furthermore, it plays a crucial role in Si electron fluidic devices and Si qbits for quantum computers, which are anticipated as future devices. Therefore, elucidating the formation mechanism of the SiO2/Si interface at the atomic level has significant societal implications.According to previous research, silicon is released from the interface into the oxide film during the oxidation of silicon. Using the first-principles calculations, we have successfully identified the atomic configurations and paths taken during this diffusion process and confirmed the validity of silicon release from the interface. In this study, we further identified the barrier height of the release process through the first-principles calculations and evaluated the diffusion constants.