Abstract
The goals of this Ph.D. study were to integrate quantum modelling using first-principles techniques and atomic scale characterization methods in the aberration-corrected STEM, to characterize Si3N4/rare-earth oxides (REO) interfaces, and to address the outstanding problems regarding the role of light elements at these interfaces. The experimental techniques such as Z-contrast imaging and electron energy loss spectroscopy in the STEM were used to provide information on the structure, composition and bonding characteristics at the interface with a sub-Ångstrøm resolution. The theoretical calculations based on Density Functional Theory, on the other hand, served to model the interface focusing on the question of how the RE elements and lighter atoms bond to the grains of Si3N4. Since the morphology of the ceramics grains as well as its overall properties depend upon the selection of the RE elements and their bonding characteristics at the Si3N4/REO interfaces, this study is of both fundamental and technological interest.
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Walkosz, W. (2011). Conclusions and Future Work. In: Atomic Scale Characterization and First-Principles Studies of Si₃N₄ Interfaces. Springer Theses. Springer, New York, NY. https://doi.org/10.1007/978-1-4419-7817-2_8
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DOI: https://doi.org/10.1007/978-1-4419-7817-2_8
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