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Ab-initio Calculations to Model Anomalous Fluorine Behavior

Published online by Cambridge University Press:  01 February 2011

Milan Diebel  and
Scott T. Dunham
Milan Diebel
Affiliation:
Department of Physics, University of Washington, Seattle, WA 98195-1560, USA
Scott T. Dunham
Affiliation:
Department of Electrical Engineering, University of Washington, Seattle, WA 98195-2500, USA
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Abstract

Implanted fluorine has been observed to behave unusually in silicon, manifesting apparent uphill diflusion [1]. We are further motivated to understand the behavior of implanted fluorine in silicon by experiments which suggest that fluorine reduces boron diflusion [2, 3, 4, 5] and enhances boron activation in shallow junctions [2, 3]. In order to investigate fluorine behavior, we calculated the energy of fluorine defect structures in the framework of density functional theory (DFT). Besides identifying the ground-state con.guration of a single fluorine atom in silicon, a set of energetically favorable fluorine defect structures were found. The latter strongly suggests a distinct fluorine diflusion mechanism, which was implemented in a continuum diflusion simulation and compared to experimental data.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 717: Symposium C – Si Front-End Junction Formation Technologies , 2002 , C4.5
Copyright
Copyright © Materials Research Society 2002

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