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Applied Physics Letters / Volume 80 / Issue 1 / STRUCTURAL, MECHANICAL, THERMODYNAMIC, AND OPTICAL PROPERTIES OF CONDENSED MATTER

Appl. Phys. Lett. 80, 52 (2002); http://dx.doi.org/10.1063/1.1430505 (3 pages)

Ab initio modeling and experimental study of C–B interactions in Si

Chun-Li Liu1,2, Wolfgang Windl1,2, Len Borucki1,2, Shifeng Lu1,2, and Xiang-Yang Liu3

1Digital DNA™ Laboratories, Motorola, Incorporated, Mesa, Arizona 85202
2Austin, Texas 78721
3Physical Sciences Research Laboratory, Motorola, Incorporated Los Alamos, New Mexico 87544

(Received 11 June 2001; accepted 5 November 2001)

We present results of ab initio calculations for the structure and energetics of small boron-carbon-interstitial and carbon-interstitial clusters in silicon and a respective continuum model for the nucleation, growth, and dissolution of these clusters. To test our calculations, we also measure secondary-ion mass spectra of boron and carbon in a SiGeCB system, which our model reproduces well. For the considered concentration regime, we find rapid carbon diffusion, nearly immobile boron, and undersaturation of silicon self-interstitials, resulting mainly from two clusters suggested by our ab initio results, the dicarbon-interstitial cluster and the boron-carbon-interstitial cluster. © 2002 American Institute of Physics.

© 2002 American Institute of Physics

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KEYWORDS and PACS

Keywords

silicon, boron, carbon, elemental semiconductors, impurity-defect interactions, ab initio calculations, secondary ion mass spectra, diffusion, interstitials

PACS

  • 61.72.Yx

    Interaction between different crystal defects; gettering effect

  • 61.72.J-

    Point defects and defect clusters

  • 66.30.J-

    Diffusion of impurities

  • 79.20.Rf

    Atomic, molecular, and ion beam impact and interactions with surfaces

  • 31.15.A-

    Ab initio calculations

ARTICLE DATA

Digital Object Identifier
http://dx.doi.org/10.1063/1.1430505

PUBLICATION DATA

ISSN

0003-6951 (print)  
1077-3118 (online)

Publisher

$abstract.society.value is a Member of CrossRef American Institute of Physics

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