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Stability and kinetics of point defects in SiO2 and SiC

Authors
  • Guido, Roma
Publication Date
May 29, 2012
Source
HAL-UPMC
Keywords
Language
English
License
Unknown
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Abstract

This document is conceived as an overview of my research work on defects stability and kinetics in two materials of interest in nuclear science and for many other application domains : silicon dioxide and silicon carbide. The preliminary chapter (page ix) is an extended summary in french of chapters 1,2,3,4, followed by a four years project playing the role of a conclusion. Chapter 1 describes the context, introduces the approach and explains the choice of silicon dioxide and silicon carbide. Chapter 2 discusses several approximations and specific issues of the application of Density Functional Theory to point defects in non-metallic materials for the study of defects energetics and diffusion. Chapter 3 is devoted to native defects in silicon dioxide and the understanding of self-diffusion in crystalline and amorphous SiO2. It discusses achievements and failures of DFT in semilocal approximations in connection with the interpretation of some notable experimental results. Chapter 4 summarises the work that I have done on native defects and palladium impurities in silicon carbide, with a focus on kinetic properties controlling the annealing of stoichiometric defects, Frenkel pairs, and silicon vacancies, as well as the diffusion of Pd impurities. A conclusion 5 closes the main part of the document, written in english. Appendixes include a compilation of defect data for silicon carbide (A.1), a Curriculum Vitæ (B, in french) and a selection of articles (C).

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