Atomic structure of B-P and self-interstitial-B-P complexes in Si

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We investigate the atomic structure of B-P pairs in bulk Si through first-principles pseudopotential calculations, and find that a B-P pair is energetically most stable when P is positioned at a substitutional site in the second nearest neighborhood of B. We also examine the energetics of various I-s-B-P complexes that consist of B. P, and Si self-interstitial (I-s). In this complex, P also prefers a substitutional site in the second nearest neighborhood of B: however. its actual position depends oil the charge state of the complex. We find that the formation of the I-s-B-P complex is energetically more favorable than for the I-s-B complex, which is a major diffusing species in B-doped material.
Publisher
KOREAN PHYSICAL SOC
Issue Date
2003-02
Language
English
Article Type
Article; Proceedings Paper
Keywords

TRANSIENT ENHANCED DIFFUSION; FIRST-PRINCIPLES; BORON-DIFFUSION; SILICON; PHOSPHORUS; IMPLANTATION; PSEUDOPOTENTIALS; TECHNOLOGY; DEFECTS

Citation

JOURNAL OF THE KOREAN PHYSICAL SOCIETY, v.42, pp.S602 - S605

ISSN
0374-4884
URI
http://hdl.handle.net/10203/84262
Appears in Collection
PH-Journal Papers(저널논문)
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