Paper Title:
A Theoretical Study of Dislocation Formation at Surfaces in Covalent Materials: Effect of Step Geometry and Reactivity
  Abstract

Atomistic simulations using both semi-empirical potential and first principles calculation have been performed to study the initiation of plasticity near surface steps in silicon. A comparison of both techniques on a prototypic case shows qualitative and quantitative agreement. Then each method has been used to analyze in detail some characteristics of the surface step: the step geometry thanks to semi-empirical potential calculations, and the step reactivity with ab initio techniques.

  Info
Periodical
Solid State Phenomena (Volumes 108-109)
Edited by
B. Pichaud, A. Claverie, D. Alquier, H. Richter and M. Kittler
Pages
193-198
DOI
10.4028/www.scientific.net/SSP.108-109.193
Citation
S. Brochard, J. Godet, L. Pizzagalli, P. Beauchamp, J. Soler, "A Theoretical Study of Dislocation Formation at Surfaces in Covalent Materials: Effect of Step Geometry and Reactivity", Solid State Phenomena, Vols. 108-109, pp. 193-198, 2005
Online since
December 2005
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Price
$32.00
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