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

Abstract:

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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 et al., "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:

$35.00

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