Presentation Information

[10a-F211-3]Atomic Scale Insights into Excess Si Transport in Cristobalite-like Si Oxide

〇Hiroyuki Kageshima1, Insung Seo1, Toru Akiyama2, Kenji Shiraishi3 (1.Shimane Univ., 2.Mie Univ., 3.Tohoku Univ.)

Keywords:

silicon oxide,excess Si transport,first-principles calculation

In this study, we examined the transport of excess silicon in bulk cristobalite, performed calculations under isotropic strain, and investigated how differences in the topology of the Si-O-Si network affect the behavior. As in previous studies, we assume that the excess silicon exists as interstitial SiO (ISiO).