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Simulations of SI(100) Growth: Step Flow and Low Temperature Growth

Published online by Cambridge University Press:  21 February 2011

C. Roland ,
Q.M. Zhang ,
P. Boguslawski ,
J. Bernholc  and
G.H. Gilmer
C. Roland
Affiliation:
Department of Physics, North Carolina State University, Raleigh, NC 27695.
Q.M. Zhang
Affiliation:
Cray Research Inc, Pittsburgh Supercomputing Center, Pittsburgh PA 15213.
P. Boguslawski
Affiliation:
Department of Physics, North Carolina State University, Raleigh, NC 27695. Institute of Physics, PAN, 02-668 Warsaw, Poland.
J. Bernholc
Affiliation:
Department of Physics, North Carolina State University, Raleigh, NC 27695.
G.H. Gilmer
Affiliation:
AT&T Bell Laboratories, Murray Hill NJ 07694.
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Abstract

We have investigated Si (100) homoepitaxy in variety of different temperature regimes. In the high temperature step flow regime, the growth properties of the different steps play an important role. The binding sites and diffusion barriers for a Si adatom moving over the buckled Si(100) surface and single-height steps were investigated with the ab initio Car-Parrinello scheme. The SA step edge was found to be a relatively poor sink for adatoms. By contrast, growth takes place much more rapidly at the SB step edges, so that one can understand the relatively fast growth observed at the ends of dimer rows. We have also investigated Si(100) homoepitaxy with classical molecular dynamics simulations at very low temperatures, where typically an amorphous deposit forms. By tuning the energy of the incoming atomic beams, one can lower the temperature of the amorphous to crystalline transition considerably and thereby enhance epitaxial growth.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 399: Symposium D – Evolution of Epitaxial Structure and Morphology , 1995 , 511
Copyright
Copyright © Materials Research Society 1996

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References

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