First-principles study of boron-related defects in $SiO_2$ and boron segregation at the $Si/SiO_2$ interface = Bulk $SiO_2$ 내에서의 붕소결함과 $Si/SiO_2$ 계면에서의 붕소응집에 관한 제일원리 연구

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Based on first-principle total-energy calculations, we investigate the atomic and electronic structure of B-related defects in both strained and nonstrained tridymite- $SiO_2$ and propose a mechanism for dopant segre-gation in the Si/tridymtie- $SiO_2$ interface. We find that a B dopant can exist in stable and meta-stable states in tridymite- $SiO_2$, and the structural stability changes under strain, depending on the charge state of the dopant and its surrounding environment. In addition, we investigate the stability of various boron-related defects near the $Si/SiO_2$ interface. In the presence of abundant Si self-interstitials, a positively charged interstitial boron is found to diffuse into the oxide and become energetically very stable near the interface, while a substitutional B is unlikely to segregate to the interface. This result indicates that the activation of B dopants is suppressed in the Si region after segregation to the oxide region.
Advisors
Chang, Kee-Jooresearcher장기주researcher
Description
한국과학기술원 : 물리학과,
Publisher
한국과학기술원
Issue Date
2011
Identifier
467636/325007  / 020093615
Language
eng
Description

학위논문(석사) - 한국과학기술원 : 물리학과, 2011.2, [ iv, 24 p. ]

Keywords

B dopant; 붕소응집; 붕소결함; Si/SiO2 계면; Tridymite; Si/SiO2 interface; B segregation; Tridymite

URI
http://hdl.handle.net/10203/48764
Link
http://library.kaist.ac.kr/search/detail/view.do?bibCtrlNo=467636&flag=dissertation
Appears in Collection
PH-Theses_Master(석사논문)
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