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Understanding Structure and Electronic Properties of Extended Self-Interstitial Defects in Silicon

Published online by Cambridge University Press:  10 February 2011

P. Alippi  and
L. Colombo
P. Alippi
Affiliation:
INFM and Dept. Materials Science, via Cozzi 53, 1-20126 Milano, Italy, [email protected]@mater.unimi.it
L. Colombo
Affiliation:
INFM and Dept. Materials Science, via Cozzi 53, 1-20126 Milano, Italy, [email protected]@mater.unimi.it
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Abstract

The results of an atomistic investigation on the coalescence mechanisms of self-interstitial {311} defects are presented. Formation energies and equilibrium configurations of defect structures are determined by tight-binding molecular dynamics simulation. We focus on the characterization of the lattice strain field around the defect complex: By means of the determination of the atomic stress distribution, we discuss how it may influence the formation mechanisms of the planar {311} structures. We also attempt a correlation between structural features and electronic properties through the analysis of defect-related orbitals occupations and inverse participation ratios.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 538: Symposium J – Multiscale Modelling of Materials , 1998 , 353
Copyright
Copyright © Materials Research Society 1999

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