sigma = 11 (233) [011] tilt grain-boundary energies in silicon and germanium from anharmonic bond-charge modelling

1 August 1997

journal article
research article
Published by Taylor & Francis in Philosophical Magazine Letters

Vol. 76 (2) , 83-88
https://doi.org/10.1080/095008397179246

Abstract

Calculated energies are reported for Sigma= 11 (233) [011] tilt grain-boundary variants in Ge and Si. The anharmonic bond-charge model yields different energy rankings of the Sigma=11A and Sigma=11B variants in the two materials, in agreement with the experimental observations. Criteria for selecting well suited interatomic models are discussed and the anharmonic model is described.

Keywords

SILICON
GRAIN BOUNDARY
TILT GRAIN
ANHARMONIC BOND
BOND CHARGE
CHARGE MODELLING
SIGMA

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