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The Effect of Carbon/Self-Interstitial Clusters on Carbon Diffusion in Silicon Modeled by Kinetic Monte Carlo Simulations

Published online by Cambridge University Press:  17 March 2011

M. Jaraíz
Affiliation:
Bell Laboratories, Lucent Technologies, Murray Hill, New Jersey 07974
H. J. Gossmann
Affiliation:
Bell Laboratories, Lucent Technologies, Murray Hill, New Jersey 07974
G. H. Gilmer
Affiliation:
Bell Laboratories, Lucent Technologies, Murray Hill, New Jersey 07974
J. L. Benton
Affiliation:
Bell Laboratories, Lucent Technologies, Murray Hill, New Jersey 07974
P. Werner
Affiliation:
Max-Planck-Institut für Mikrostrukturphysik, Weinberg 2, 06120 Halle, Germany
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Abstract

A new model for carbon diffusion in silicon that explains carbon diffusion during annealing at 850°C and 900°C in superlattice carbon structures grown by MBE is implemented using the Monte Carlo atomistic simulator DADOS. Carbon concentrations in the delta layers are 2×1020 cm−3, exceeding by far the solid solubility. The simple kick-out mechanism which incorporates the well established values of the product of diffusivity and equilibrium concentrations of intrinsic point defects and in-diffusion experiments of carbon in silicon does not explain the observed C diffusion profiles. A more detailed analysis of the experiments shows that, in order to fit them, a more unstable Ci is required. Therefore, we include the formation of clusters in the simulations. The formation of carbon/Si self-interstitial clusters promotes the premature break-up of Ci and the increase of the Si self-interstitial concentration in the carbon rich regions and, consequently, provides a better fit to the experiments. The low solubility of carbon in silicon at the annealing temperatures explains why these clusters are formed, even under conditions where the self-interstitial concentration is below the equilibrium value.

Type
Research Article
Copyright
Copyright © Materials Research Society 2000

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