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Boron Clusters in a Complex Defect in Silicon

Published online by Cambridge University Press:  10 February 2011

M. Okamoto ,
K. Takayanagi  and
S. Takeda
M. Okamoto
Affiliation:
Takayanagi Particle Surface Project, ERATO, Japan Science and Technology Corporation, 2-13-3 Akebono, Tachikawa, Tokyo 190-0012, Japan, [email protected]
K. Takayanagi
Affiliation:
Takayanagi Particle Surface Project, ERATO, Japan Science and Technology Corporation, 2-13-3 Akebono, Tachikawa, Tokyo 190-0012, Japan, [email protected]
S. Takeda
Affiliation:
Department of Physics, Graduate School of Science, Osaka University, 1-16 Machikane-yama, Toyonaka, Osaka 560-0043, Japan
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Abstract

We have investigated stability of a new kind of boron clusters in silicon crystal using the first-principles local density functional approach. In the calculation, we used three types of hydrogenterminated silicon clusters; one of these types included the four interstitial cluster I4 as a complex defect. According to our calculation, we found that a new kind of boron clustering of n-borons substituted I4 (n < 3) became most stable when the ratio r = N(Bi) / (N(Sii) + N(Bi) in a confined area was less than or equal to 1/2, where N(B) is a number of interstitial boron atoms and N(Sii) is that of interstitial silicon atoms. On the other hand, when r was greater than 1/2, the l4 would be destroyed to create the [100] split boron pair, the [110] split silicon pair, and/or the substitutional boron and interstitial silicon pair.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 510: Symposium D – Defect & Impurity Engineered Semiconductors & Devices II , January 1998 , 343
Copyright
Copyright © Materials Research Society 1998

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