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Modeling of Effect of Stress on C Diffusion/Clustering in Si

Published online by Cambridge University Press:  01 February 2011

Hsiu-Wu Guo
Affiliation:, University of Washington, Electrical Engineer Department, University of Washington, Department of Electrical Engineering, Paul Allen Center – Room AE100R, Seattle, WA, 98195-2500, United States
Chihak Ahn
Affiliation:, University of Washington, Physics, Seattle, WA, 98195, United States
Scott T Dunham
Affiliation:, University of Washington, Electrical Engineering, Seattle, WA, 98195, United States
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Extensive ab-initio calculations were performed to find formation energies of stable C complex configurations in silicon as function of stress. The results indicate that substitutional C is the lowest energy state, while the <100> split interstitial is the dominant mobile species. Investigation of small carbon/interstitial clustering suggests that these clusters are only significant under a substantial interstitial supersaturation. We studied the diffusion path for neutral C including the impact of stress. Through KLMC analysis of stress effect on diffusivity, we found that tensile biaxial strain enhances the effective C diffusivity, with a stronger stress dependence for C diffusivity in the out-of-plane direction.

Research Article
Copyright © Materials Research Society 2008

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