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Coupled Kinetic Monte Carlo and Molecular Dynamics Simulations of Implant Damage Accumulation in Silicon

Published online by Cambridge University Press:  01 February 2011

Gustav Otto  and
Gerhard Hobler
Gustav Otto
Affiliation:
Vienna University of Technology, A-1040-Vienna, AUSTRIA., gustav.otto@tuwien.ac.at
Gerhard Hobler
Affiliation:
Vienna University of Technology, A-1040-Vienna, AUSTRIA., gustav.otto@tuwien.ac.at
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Abstract

Damage formation during ion implantation is a complex process that cannot accurately be modeled by binary collision simulations alone. Molecular dynamics (MD) simulations are suited to describe the quenching of collision cascades, while thermally activated processes may be treated with the kinetic Monte Carlo (kMC) method.

MD and kMC simulations have widely but separately been used to investigate damage accumulation and annealing in silicon. Simulation of ion implantation at room temperature, however, requires both methods to be coupled. In this paper we describe for the first time a scheme of the coupling between MD and lattice kMC for damage accumulation. Using this scheme we study the dynamic annealing behavior of implantation damage for heavy and light ions.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 792: Symposium R – Radiation Effects and Ion Beam Processing of Materials , 2003 , R6.5
Copyright
Copyright © Materials Research Society 2004

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References

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