Atomic Scale Characterization and First-Principles Studies of Si₃N₄ Interfaces
Seiten
2011
Springer-Verlag New York Inc.
978-1-4419-7816-5 (ISBN)
Springer-Verlag New York Inc.
978-1-4419-7816-5 (ISBN)
This book offers results that influence many high temperature and pressure applications. It provides findings that will offer increased control over the performance of ceramic and semiconductor materials for a wide-range of applications.
This thesis presents results from a combined atomic-resolution Z-contrast and annular bright-field imaging and electron energy loss spectroscopy in the Scanning Transmission Electron Microscopy, as well as first principles studies of the interfaces between crystalline β−Si3N4 and amorphous (i) CeO2-x as well as (ii) SiO2 intergranular film (IGF). These interfaces are of a great fundamental and technological interest because they play an important role in the microstructural evolution and mechanical properties of Si3N4 ceramics used in many high temperature and pressure applications. The main contribution of this work is its detailed description of the bonding characteristics of light atoms, in particular oxygen and nitrogen, at these interfaces, which has not been achieved before. The atomic-scale information on the arrangement of both light and heavy atoms is critical for realistic modeling of interface properties, such as interface strength and ion transport, and will facilitate increased control over the performance of ceramic and semiconductor materials for a wide-range of applications.
This thesis presents results from a combined atomic-resolution Z-contrast and annular bright-field imaging and electron energy loss spectroscopy in the Scanning Transmission Electron Microscopy, as well as first principles studies of the interfaces between crystalline β−Si3N4 and amorphous (i) CeO2-x as well as (ii) SiO2 intergranular film (IGF). These interfaces are of a great fundamental and technological interest because they play an important role in the microstructural evolution and mechanical properties of Si3N4 ceramics used in many high temperature and pressure applications. The main contribution of this work is its detailed description of the bonding characteristics of light atoms, in particular oxygen and nitrogen, at these interfaces, which has not been achieved before. The atomic-scale information on the arrangement of both light and heavy atoms is critical for realistic modeling of interface properties, such as interface strength and ion transport, and will facilitate increased control over the performance of ceramic and semiconductor materials for a wide-range of applications.
Silicon Nitride Ceramics.- Theoretical Methods and Approximations.- Overview of Experimental Tools.- Structural Energetics of β−Si3N4 (1010) Surfaces.- Atomic Resolution Study of the Interfacial Bonding at SI3N4/CEO2−∂ Grain Boundaries.- Atomic Resolution Study of β−Si3N4/ SIO2 Interfaces.- Imagine Bulk α -SI3N4.- Conclusions and Future Work.- Appendices.- Cited Literature.
| Erscheint lt. Verlag | 19.4.2011 |
|---|---|
| Reihe/Serie | Springer Theses |
| Zusatzinfo | XIV, 110 p. |
| Verlagsort | New York, NY |
| Sprache | englisch |
| Maße | 155 x 235 mm |
| Themenwelt | Naturwissenschaften ► Chemie ► Analytische Chemie |
| Naturwissenschaften ► Chemie ► Physikalische Chemie | |
| Naturwissenschaften ► Chemie ► Technische Chemie | |
| Naturwissenschaften ► Physik / Astronomie ► Atom- / Kern- / Molekularphysik | |
| Technik ► Maschinenbau | |
| Schlagworte | Born Oppenheimer approximation • Electron Energy Loss Spectroscopy • experimental tools • interfacial bonding • Multivariate Statistical Analysis • PlaneWaves • Projector Augumented Wave Method • Pseudopotentials • Si3N4 • Silicon nitride ceramics |
| ISBN-10 | 1-4419-7816-X / 144197816X |
| ISBN-13 | 978-1-4419-7816-5 / 9781441978165 |
| Zustand | Neuware |
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