First-principles study of the segregation of boron dopants near the interface between crystalline Si and amorphous SiO2

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We investigate the stability of boron dopants near the interface between crystalline Si and amorphous SiO2 through first-principles density functional calculations. An interstitial B is found to be more stable in amorphous SiO2 than in Si, so that B dopants tend to segregate to the interface. When defects exist in amorphous SiO2, the stability of B is greatly enhanced, especially around Si floating bond defects, while it is not significantly affected near Si-Si dimers, which are formed by O-vacancy defects. (C) 2011 Elsevier B.V. All rights reserved.
Publisher
ELSEVIER SCIENCE BV
Issue Date
2012-08
Language
English
Article Type
Article; Proceedings Paper
Keywords

AB-INITIO; SILICON; DIFFUSION

Citation

PHYSICA B-CONDENSED MATTER, v.407, no.15, pp.2989 - 2992

ISSN
0921-4526
DOI
10.1016/j.physb.2011.08.050
URI
http://hdl.handle.net/10203/102734
Appears in Collection
PH-Journal Papers(저널논문)
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