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Anisotropic Displacement Threshold Energies in Silicon by Molecular Dynamics Simulations

Published online by Cambridge University Press:  26 February 2011

LeAnn A. Miller ,
David K. Brice ,
Anil K. Prinja  and
S. Thomas Picraux
LeAnn A. Miller
Affiliation:
Sandia National Laboratories, Albuquerque, NM
David K. Brice
Affiliation:
Sandia National Laboratories, Albuquerque, NM
Anil K. Prinja
Affiliation:
university of New Mexico, Department of Chemical and Nuclear Engineering, Albuquerque, NM
S. Thomas Picraux
Affiliation:
Sandia National Laboratories, Albuquerque, NM
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Abstract

A combination of molecular dynamics simulations and theoretical modeling was used to examine the orientation dependent threshold energies for displacement of silicon atoms from their lattice site due to energetic particle collisions. These results are important for a detailed understanding of both radiation effects in silicon devices and beam-enhanced stimulation of molecular beam epitaxial growth.

The molecular dynamics code developed for this study, which employs a Tersoff interaction potential, as well as the theoretical model that incorporates the symmetry of the crystal are described.

Bulk displacement threshold energies were determined by the molecular dynamics code for four directions through the open face in the <111>. These values were then incorporated into the theoretical model for the average bulk displacement threshold energy. The average bulk displacement threshold energy was found to be 14.8 eV in 30° about <111> and 11.1 eV in 20° about <100>.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 209: Symposium K – Defects in Materials , 1990 , 171
Copyright
Copyright © Materials Research Society 1991

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