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Potential Energy Calculation of two Structures of the Σ=11 <011> Tilt Grain Boundary in Silicon and Germanium

Published online by Cambridge University Press:  10 February 2011

J. Chen ,
A. Hairie ,
B. Lebouvffir ,
G. Nouet  and
E. Paumter
J. Chen
Affiliation:
LERMAT, UPRESA-CNRS 6004, ISMRA, 6 Bd du Maréchal Juin, 14050 CAEN Cedex, [email protected]
A. Hairie
Affiliation:
LERMAT, UPRESA-CNRS 6004, ISMRA, 6 Bd du Maréchal Juin, 14050 CAEN Cedex, [email protected]
B. Lebouvffir
Affiliation:
LERMAT, UPRESA-CNRS 6004, ISMRA, 6 Bd du Maréchal Juin, 14050 CAEN Cedex, [email protected]
G. Nouet
Affiliation:
LERMAT, UPRESA-CNRS 6004, ISMRA, 6 Bd du Maréchal Juin, 14050 CAEN Cedex, [email protected]
E. Paumter
Affiliation:
LERMAT, UPRESA-CNRS 6004, ISMRA, 6 Bd du Maréchal Juin, 14050 CAEN Cedex, [email protected]
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Abstract

Available experimental data concerning two possible atomic structures (A and B) of the Σ=11 <011> tilt grain boundary in silicon and germanium are analyzed. Previous empirical calculations concerning low and high temperature stability of these structures are summarized and criticized. New calculations using the semi-empirical tight-binding method (SETBM) are presented for low temperature stability. The tight-binding parameters of Mercer and Chou give results in agreement with experimental observations by high resolution electron microscopy.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 492: Symposium S – Microscopic Simulation of Interfacial Phenomena in Solids… , 1997 , 133
Copyright
Copyright © Materials Research Society 1998

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References

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